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69385-85-9 | N-(Piperidin-4-yl)pyrimidin-2-amine
CAS No: 69385-85-9 Catalog No: AG003SF5 MDL No:MFCD09936150
Product Description
Catalog Number:
AG003SF5
Chemical Name:
N-(Piperidin-4-yl)pyrimidin-2-amine
CAS Number:
69385-85-9
Molecular Formula:
C9H14N4
Molecular Weight:
178.2343
MDL Number:
MFCD09936150
IUPAC Name:
N-piperidin-4-ylpyrimidin-2-amine
InChI:
InChI=1S/C9H14N4/c1-4-11-9(12-5-1)13-8-2-6-10-7-3-8/h1,4-5,8,10H,2-3,6-7H2,(H,11,12,13)
InChI Key:
HQPSCRCCYZGOIV-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)Nc1ncccn1
Properties
Complexity:
139
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.122g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
178.239g/mol
Monoisotopic Mass:
178.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Exploration of piperidine-4-yl-aminopyrimidines as HIV-1 reverse transcriptase inhibitors. N-Phenyl derivatives with broad potency against resistant mutant viruses. | Bioorganic & medicinal chemistry letters 20101015 |
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