N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C15H15ClN4O5 — CID 5130421

IUPACN-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(CO)C(=O)NCc1ccc(Cl)cc1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H15ClN4O5/c16-9-3-1-8(2-4-9)5-17-14(24)11(7-21)19-12(22)10-6-18-15(25)20-13(10)23/h1-4,6,11,21H,5,7H2,(H,17,24)(H,19,22)(H2,18,20,23,25)
InChIKeyYFENJHRXRPUQCR-UHFFFAOYSA-N
MW366.76 g/mol
LogP-0.88
Rot. Bonds6

About N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 5130421) has the molecular formula C15H15ClN4O5 and a molecular weight of 366.76 g/mol. Its IUPAC name is N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID5130421
Molecular FormulaC15H15ClN4O5
Molecular Weight366.76 g/mol
Exact Mass366.07
IUPAC NameN-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(NC(CO)C(=O)NCc1ccc(Cl)cc1)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C15H15ClN4O5/c16-9-3-1-8(2-4-9)5-17-14(24)11(7-21)19-12(22)10-6-18-15(25)20-13(10)23/h1-4,6,11,21H,5,7H2,(H,17,24)(H,19,22)(H2,18,20,23,25)
InChIKeyYFENJHRXRPUQCR-UHFFFAOYSA-N
XLogP-0.88
TPSA144.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.76
LogP ≤ 5-0.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Analyze N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide 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-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61401037
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724624
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 6667383
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
N-[(4-methoxyphenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 110851663
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5048892
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
N-(2-aminoethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 60965324
N-[4-(hydroxymethyl)phenyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 64794316
benzyl 4-[(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-hydroxypropanoyl]-1,4-diazepane-1-carboxylate
CID 6724069
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
N-[(3-bromophenyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 61410076

Frequently Asked Questions

What is the IUPAC name of N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 5130421) is N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(NC(CO)C(=O)NCc1ccc(Cl)cc1)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is YFENJHRXRPUQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN4O5/c16-9-3-1-8(2-4-9)5-17-14(24)11(7-21)19-12(22)10-6-18-15(25)20-13(10)23/h1-4,6,11,21H,5,7H2,(H,17,24)(H,19,22)(H2,18,20,23,25).
What are the key properties of N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 366.76 g/mol, XLogP of -0.88, 6 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 5130421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).