5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one

C13H15FN4O — CID 136976407

IUPAC5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1cc(CNc2nc[nH]c(=O)c2N)cc(C)c1F
InChIInChI=1S/C13H15FN4O/c1-7-3-9(4-8(2)10(7)14)5-16-12-11(15)13(19)18-6-17-12/h3-4,6H,5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyYYDPCNMDVGQWQH-UHFFFAOYSA-N
MW262.29 g/mol
LogP1.72
Rot. Bonds3

About 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136976407) has the molecular formula C13H15FN4O and a molecular weight of 262.29 g/mol. Its IUPAC name is 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID136976407
Molecular FormulaC13H15FN4O
Molecular Weight262.29 g/mol
Exact Mass262.12
IUPAC Name5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCc1cc(CNc2nc[nH]c(=O)c2N)cc(C)c1F
InChIInChI=1S/C13H15FN4O/c1-7-3-9(4-8(2)10(7)14)5-16-12-11(15)13(19)18-6-17-12/h3-4,6H,5,15H2,1-2H3,(H2,16,17,18,19)
InChIKeyYYDPCNMDVGQWQH-UHFFFAOYSA-N
XLogP1.72
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.29
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
5-amino-4-[[3-(aminomethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136972704
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136902041
5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976291
N-[(4-fluoro-3,5-dimethylphenyl)methyl]-3-methylpyrazin-2-amine
CID 83062801
5-amino-4-(2-ethylbutylamino)-1H-pyrimidin-6-one
CID 136977396

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one (CID 136976407) is 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one is Cc1cc(CNc2nc[nH]c(=O)c2N)cc(C)c1F.
What is the InChIKey of 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is YYDPCNMDVGQWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4O/c1-7-3-9(4-8(2)10(7)14)5-16-12-11(15)13(19)18-6-17-12/h3-4,6H,5,15H2,1-2H3,(H2,16,17,18,19).
What are the key properties of 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 262.29 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136976407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).