5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one

C12H14N4O2 — CID 135568300

IUPAC5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C12H14N4O2/c1-18-9-4-2-8(3-5-9)6-14-11-10(13)12(17)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyBHEYXEDKZZSHTI-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.97
Rot. Bonds4

About 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one

5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 135568300) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID135568300
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESCOc1ccc(CNc2nc[nH]c(=O)c2N)cc1
InChIInChI=1S/C12H14N4O2/c1-18-9-4-2-8(3-5-9)6-14-11-10(13)12(17)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyBHEYXEDKZZSHTI-UHFFFAOYSA-N
XLogP0.97
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136976407
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
5-amino-4-[(3-methoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136975203
4-[(4-aminophenyl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136979125
5-amino-4-[2-(2-methoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136887855
4-[(3-amino-4-methoxyphenyl)methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136979406
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
7-methoxy-N-[(4-methoxyphenyl)methyl]-1H-imidazo[4,5-c]pyridin-4-amine
CID 171481724

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one (CID 135568300) is 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one is COc1ccc(CNc2nc[nH]c(=O)c2N)cc1.
What is the InChIKey of 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is BHEYXEDKZZSHTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-18-9-4-2-8(3-5-9)6-14-11-10(13)12(17)16-7-15-11/h2-5,7H,6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 246.27 g/mol, XLogP of 0.97, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135568300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).