N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide

C11H9ClN4O3 — CID 66758533

IUPACN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide
SMILESNc1nc(O)c(NC(=O)c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN4O3/c12-6-3-1-5(2-4-6)8(17)14-7-9(18)15-11(13)16-10(7)19/h1-4H,(H,14,17)(H4,13,15,16,18,19)
InChIKeyAVPDKTXBEZEVAK-UHFFFAOYSA-N
MW280.67 g/mol
LogP0.96
Rot. Bonds2

About N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide

N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide (PubChem CID 66758533) has the molecular formula C11H9ClN4O3 and a molecular weight of 280.67 g/mol. Its IUPAC name is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide.

Molecular Properties

Compound NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide
PubChem CID66758533
Molecular FormulaC11H9ClN4O3
Molecular Weight280.67 g/mol
Exact Mass280.04
IUPAC NameN-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide
SMILESNc1nc(O)c(NC(=O)c2ccc(Cl)cc2)c(=O)[nH]1
InChIInChI=1S/C11H9ClN4O3/c12-6-3-1-5(2-4-6)8(17)14-7-9(18)15-11(13)16-10(7)19/h1-4H,(H,14,17)(H4,13,15,16,18,19)
InChIKeyAVPDKTXBEZEVAK-UHFFFAOYSA-N
XLogP0.96
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 50.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide 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-(4-amino-2-methylsulfanyl-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide
CID 135700902
N-(4-amino-6-oxo-2-prop-2-ynylsulfanyl-1H-pyrimidin-5-yl)-4-chlorobenzamide
CID 135700912
N-[4-amino-6-oxo-2-[(1S)-1-phenylethyl]sulfanyl-1H-pyrimidin-5-yl]-4-chlorobenzamide
CID 135700932
N-[4-amino-2-[(4-methylphenyl)methylsulfanyl]-6-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide
CID 135700937
N-[4-amino-2-[2-(azepan-1-yl)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide
CID 135705826
N-[4-amino-2-(2-ethoxyethylsulfanyl)-6-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide
CID 135700917
N-[4-amino-2-[2-(3,4-dichloroanilino)-2-oxoethyl]sulfanyl-6-oxo-1H-pyrimidin-5-yl]-4-chlorobenzamide
CID 135705843
methyl (2R)-2-[[4-amino-5-[(4-chlorobenzoyl)amino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate
CID 135700947
2-amino-4-hydroxy-6-oxo-N-phenyl-1H-pyrimidine-5-carboxamide
CID 118313501
ethyl (2S)-2-[[4-amino-5-[(4-chlorobenzoyl)amino]-6-oxo-1H-pyrimidin-2-yl]sulfanyl]butanoate
CID 135700943
N-(2-amino-4-chloro-6-oxo-1H-pyrimidin-5-yl)acetamide
CID 135454048
N-[4-(2-amino-1H-imidazol-5-yl)phenyl]-4-chlorobenzamide;hydrochloride
CID 118711437

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide?
The IUPAC name of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide (CID 66758533) is N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide.
What is the SMILES notation for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide?
The canonical SMILES for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide is Nc1nc(O)c(NC(=O)c2ccc(Cl)cc2)c(=O)[nH]1.
What is the InChIKey of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide?
The InChIKey is AVPDKTXBEZEVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O3/c12-6-3-1-5(2-4-6)8(17)14-7-9(18)15-11(13)16-10(7)19/h1-4H,(H,14,17)(H4,13,15,16,18,19).
What are the key properties of N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide?
N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide has a molecular weight of 280.67 g/mol, XLogP of 0.96, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-hydroxy-6-oxo-1H-pyrimidin-5-yl)-4-chlorobenzamide is sourced from PubChem (CID 66758533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).