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75985-45-4 | 2-Pyrimidinemethanamine
CAS No: 75985-45-4 Catalog No: AG005GTJ MDL No:MFCD06212857
Product Description
Catalog Number:
AG005GTJ
Chemical Name:
2-Pyrimidinemethanamine
CAS Number:
75985-45-4
Molecular Formula:
C5H7N3
Molecular Weight:
109.1292
MDL Number:
MFCD06212857
IUPAC Name:
pyrimidin-2-ylmethanamine
InChI:
InChI=1S/C5H7N3/c6-4-5-7-2-1-3-8-5/h1-3H,4,6H2
InChI Key:
ROSKZJGILXBSFM-UHFFFAOYSA-N
SMILES:
NCc1ncccn1
Properties
Complexity:
58.7
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.064g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
109.132g/mol
Monoisotopic Mass:
109.064g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
51.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.9
Literature
| Title | Journal |
|---|---|
| Molecular dynamics simulations and MM/GBSA methods to investigate binding mechanisms of aminomethylpyrimidine inhibitors with DPP-IV. | Bioorganic & medicinal chemistry letters 20111115 |
| Stereoselectivity and regioselectivity in nucleophilic ring opening in derivatives of 3-phenylisoxazolo[2,3-a]pyrimidine. Unpredicted dimerization and ring transformation. Syntheses of derivatives of pyrimidinylmethylamine, pyrimidinylmethylamino acid amides, and alpha-amino-2-pyrimidinylacetamides. | The Journal of organic chemistry 20040723 |
| An aminomethylpyrimidine DPP-IV inhibitor with improved properties. | Bioorganic & medicinal chemistry letters 20040705 |
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