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87647-15-2 | 4-Pyrimidinamine, 5-(dibutoxymethyl)-2-methyl-
CAS No: 87647-15-2 Catalog No: AG004HJ3 MDL No:
Product Description
Catalog Number:
AG004HJ3
Chemical Name:
4-Pyrimidinamine, 5-(dibutoxymethyl)-2-methyl-
CAS Number:
87647-15-2
Molecular Formula:
C14H25N3O2
Molecular Weight:
267.3672
IUPAC Name:
5-(dibutoxymethyl)-2-methylpyrimidin-4-amine
InChI:
InChI=1S/C14H25N3O2/c1-4-6-8-18-14(19-9-7-5-2)12-10-16-11(3)17-13(12)15/h10,14H,4-9H2,1-3H3,(H2,15,16,17)
InChI Key:
HEPMEJCHTBWKIB-UHFFFAOYSA-N
SMILES:
CCCCOC(c1cnc(nc1N)C)OCCCC
Properties
Complexity:
219
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.195g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
267.373g/mol
Monoisotopic Mass:
267.195g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
70.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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