[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide

C12H12N4O3 — CID 92857079

IUPAC[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
SMILESCOc1ccc([C@H]2CC(=O)NC(NC#N)=N2)c(O)c1
InChIInChI=1S/C12H12N4O3/c1-19-7-2-3-8(10(17)4-7)9-5-11(18)16-12(15-9)14-6-13/h2-4,9,17H,5H2,1H3,(H2,14,15,16,18)/t9-/m1/s1
InChIKeyNHQXUEHTYNWEQF-SECBINFHSA-N
MW260.25 g/mol
LogP0.39
Rot. Bonds2

About [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide

[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide (PubChem CID 92857079) has the molecular formula C12H12N4O3 and a molecular weight of 260.25 g/mol. Its IUPAC name is [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide.

Molecular Properties

Compound Name[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
PubChem CID92857079
Molecular FormulaC12H12N4O3
Molecular Weight260.25 g/mol
Exact Mass260.09
IUPAC Name[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide
SMILESCOc1ccc([C@H]2CC(=O)NC(NC#N)=N2)c(O)c1
InChIInChI=1S/C12H12N4O3/c1-19-7-2-3-8(10(17)4-7)9-5-11(18)16-12(15-9)14-6-13/h2-4,9,17H,5H2,1H3,(H2,14,15,16,18)/t9-/m1/s1
InChIKeyNHQXUEHTYNWEQF-SECBINFHSA-N
XLogP0.39
TPSA106.74 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'het_6_hydropyridone(1)', 'substructure': 'N/A'}, {'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

Analyze [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide 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

N-[(4R)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3,5-dimethoxybenzamide
CID 92688313
3-methoxy-N-[6-oxo-4-(2,3,4-trimethoxyphenyl)-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 20905465
N-[4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]-3-(dimethylamino)benzamide
CID 20905488
N-[(4S)-4-(2,5-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]thiophene-2-carboxamide
CID 92705426
4-hydroxy-6-methoxy-3,4-dihydro-1H-quinolin-2-one
CID 130007478
(4S)-7-hydroxy-4-(4-methoxyphenyl)-3,4-dihydro-1H-quinolin-2-one
CID 95166951
4-ethyl-N-[4-(4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 22426275
(4R)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one
CID 171186427
3-chloro-N-[(4R)-4-(2,3-dimethoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]benzamide
CID 92655561
(4R)-5,5-difluoro-4-(2-hydroxy-4-methoxyphenyl)-1,3-oxazinan-2-one
CID 171187763
(4S)-4-(2-hydroxy-4-methoxyphenyl)-5,5-dimethyl-1,3-oxazinan-2-one;hydrochloride
CID 171187768
[2-(1,3-dioxolan-2-yl)-4-methoxyphenyl]cyanamide
CID 22106606

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide?
The IUPAC name of [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide (CID 92857079) is [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide.
What is the SMILES notation for [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide?
The canonical SMILES for [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide is COc1ccc([C@H]2CC(=O)NC(NC#N)=N2)c(O)c1.
What is the InChIKey of [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide?
The InChIKey is NHQXUEHTYNWEQF-SECBINFHSA-N. The full InChI is InChI=1S/C12H12N4O3/c1-19-7-2-3-8(10(17)4-7)9-5-11(18)16-12(15-9)14-6-13/h2-4,9,17H,5H2,1H3,(H2,14,15,16,18)/t9-/m1/s1.
What are the key properties of [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide?
[(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide has a molecular weight of 260.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(2-hydroxy-4-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyrimidin-2-yl]cyanamide is sourced from PubChem (CID 92857079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).