4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one

C13H14N4O2 — CID 142971942

IUPAC4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NCC(O)c2ccccc2)nc[nH]c1=O
InChIInChI=1S/C13H14N4O2/c14-6-10-12(16-8-17-13(10)19)15-7-11(18)9-4-2-1-3-5-9/h1-6,8,11,14,18H,7H2,(H2,15,16,17,19)/b14-6+
InChIKeyYXFSRQZTAJYGQB-MKMNVTDBSA-N
MW258.28 g/mol
LogP0.91
Rot. Bonds5

About 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one

4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one (PubChem CID 142971942) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one
PubChem CID142971942
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one
SMILES[H]/N=C/c1c(NCC(O)c2ccccc2)nc[nH]c1=O
InChIInChI=1S/C13H14N4O2/c14-6-10-12(16-8-17-13(10)19)15-7-11(18)9-4-2-1-3-5-9/h1-6,8,11,14,18H,7H2,(H2,15,16,17,19)/b14-6+
InChIKeyYXFSRQZTAJYGQB-MKMNVTDBSA-N
XLogP0.91
TPSA101.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-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-[[2-(3-Fluorophenyl)-2-hydroxyethyl]amino]pyrido[1,2-a]pyrimidin-4-one
CID 75405523
4-[(2-hydroxy-2-phenylethyl)-methylamino]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 139421318
4-[(2-hydroxy-6-phenylhexan-3-yl)amino]-2-[hydroxy(phenyl)methyl]-5-methanimidoyl-1H-pyrimidin-6-one
CID 141917551
4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridine-3-carboximidamide
CID 142174628
2-benzyl-4-[[(3E)-2-hydroxy-3-[(Z)-prop-1-enyl]hexa-3,5-dienyl]amino]-5-methanimidoyl-1H-pyrimidin-6-one
CID 145071590
2-benzyl-4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one
CID 145071645
2-butan-2-ylsulfanyl-4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one
CID 145071693
4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-N'-methyl-2-oxo-1H-pyridine-3-carboximidamide
CID 164086036
N-(2-hydroxy-2-phenylethyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 51075474
3-(2-Hydroxy-2-phenylethyl)pyrimidin-4-one
CID 63769900
N-[(2S)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94612958
N-[(2R)-2-hydroxy-2-phenylethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 94612959

Frequently Asked Questions

What is the IUPAC name of 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one (CID 142971942) is 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one is [H]/N=C/c1c(NCC(O)c2ccccc2)nc[nH]c1=O.
What is the InChIKey of 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one?
The InChIKey is YXFSRQZTAJYGQB-MKMNVTDBSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-6-10-12(16-8-17-13(10)19)15-7-11(18)9-4-2-1-3-5-9/h1-6,8,11,14,18H,7H2,(H2,15,16,17,19)/b14-6+.
What are the key properties of 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one?
4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one has a molecular weight of 258.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-hydroxy-2-phenylethyl)amino]-5-methanimidoyl-1H-pyrimidin-6-one is sourced from PubChem (CID 142971942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).