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

C11H12N4O2 — CID 137016701

IUPAC5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCc2ccc(O)cc2)nc[nH]c1=O
InChIInChI=1S/C11H12N4O2/c12-9-10(14-6-15-11(9)17)13-5-7-1-3-8(16)4-2-7/h1-4,6,16H,5,12H2,(H2,13,14,15,17)
InChIKeyOXCBFVCCCDSOCC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.67
Rot. Bonds3

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

5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one (PubChem CID 137016701) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
PubChem CID137016701
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
SMILESNc1c(NCc2ccc(O)cc2)nc[nH]c1=O
InChIInChI=1S/C11H12N4O2/c12-9-10(14-6-15-11(9)17)13-5-7-1-3-8(16)4-2-7/h1-4,6,16H,5,12H2,(H2,13,14,15,17)
InChIKeyOXCBFVCCCDSOCC-UHFFFAOYSA-N
XLogP0.67
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.67
H-Bond Donors ≤ 54
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-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-[[3-(aminomethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136972704
4-[(4-aminophenyl)methylamino]-5-chloro-1H-pyrimidin-6-one
CID 136979125
5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136976407
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869
5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136902041
4-[[(2-amino-7H-purin-6-yl)amino]methyl]phenol
CID 86271711
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(3-methylbut-2-enylamino)-1H-pyrimidin-6-one
CID 136679983
5-amino-4-[(2,3-dihydroxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136976247

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one (CID 137016701) is 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one is Nc1c(NCc2ccc(O)cc2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is OXCBFVCCCDSOCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-9-10(14-6-15-11(9)17)13-5-7-1-3-8(16)4-2-7/h1-4,6,16H,5,12H2,(H2,13,14,15,17).
What are the key properties of 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one?
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 232.24 g/mol, XLogP of 0.67, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 137016701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).