4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one

C17H22N4O2 — CID 177376297

IUPAC4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CCCCC2)nc(Nc2cccc(O)c2)[nH]1
InChIInChI=1S/C17H22N4O2/c22-15-8-4-7-13(9-15)19-17-20-14(10-16(23)21-17)11-18-12-5-2-1-3-6-12/h4,7-10,12,18,22H,1-3,5-6,11H2,(H2,19,20,21,23)
InChIKeyHPYVMGLYOLWQPY-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.64
Rot. Bonds5

About 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one

4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one (PubChem CID 177376297) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
PubChem CID177376297
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
SMILESO=c1cc(CNC2CCCCC2)nc(Nc2cccc(O)c2)[nH]1
InChIInChI=1S/C17H22N4O2/c22-15-8-4-7-13(9-15)19-17-20-14(10-16(23)21-17)11-18-12-5-2-1-3-6-12/h4,7-10,12,18,22H,1-3,5-6,11H2,(H2,19,20,21,23)
InChIKeyHPYVMGLYOLWQPY-UHFFFAOYSA-N
XLogP2.64
TPSA90.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-(3-methoxyphenyl)piperazin-1-yl]-6-methylpyrimidin-4(3H)-one
CID 135445398
3-[(2-Amino-1,3,5-triazaspiro[5.5]undeca-1,4-dien-4-yl)amino]phenol
CID 145990659
2-(3-hydroxyanilino)-4-[(2-hydroxyethylamino)methyl]-1H-pyrimidin-6-one
CID 169101442
N-[2-[[2-(3-hydroxyanilino)-4-methoxy-1,4-dihydropyrimidin-6-yl]methylamino]ethyl]acetamide
CID 177376292
N-[2-[[2-(3-hydroxyanilino)-6-oxo-1H-pyrimidin-4-yl]methylamino]ethyl]acetamide
CID 177376293
tert-butyl 2-[[2-(3-hydroxyanilino)-6-oxo-1H-pyrimidin-4-yl]methylamino]acetate
CID 177376294
2-(3-hydroxyanilino)-4-[(3-methylbutylamino)methyl]-1H-pyrimidin-6-one
CID 177376295
4-(anilinomethyl)-2-(3-hydroxyanilino)-1H-pyrimidin-6-one
CID 177376296
2-(3-hydroxyanilino)-4-[(4-methyl-3-oxopiperazin-1-yl)methyl]-1H-pyrimidin-6-one
CID 177376298
2-(3-hydroxyanilino)-4-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]-1H-pyrimidin-6-one
CID 177376299
N-Cyclohexyl-N'-(3-hydroxyphenyl)urea
CID 4462800
2-[(3-Hydroxyphenyl)amino]-6-methyl-4(3H)-pyrimidinone
CID 135764112

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one (CID 177376297) is 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one is O=c1cc(CNC2CCCCC2)nc(Nc2cccc(O)c2)[nH]1.
What is the InChIKey of 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
The InChIKey is HPYVMGLYOLWQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-15-8-4-7-13(9-15)19-17-20-14(10-16(23)21-17)11-18-12-5-2-1-3-6-12/h4,7-10,12,18,22H,1-3,5-6,11H2,(H2,19,20,21,23).
What are the key properties of 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one?
4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one has a molecular weight of 314.39 g/mol, XLogP of 2.64, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclohexylamino)methyl]-2-(3-hydroxyanilino)-1H-pyrimidin-6-one is sourced from PubChem (CID 177376297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).