1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide

C18H14ClN3O4 — CID 66522838

IUPAC1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(O)c(C(=O)Nc3ccccc3)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C18H14ClN3O4/c1-10-7-8-12(9-13(10)19)22-17(25)14(16(24)21-18(22)26)15(23)20-11-5-3-2-4-6-11/h2-9,25H,1H3,(H,20,23)(H,21,24,26)
InChIKeyULPREYJFTUZEQX-UHFFFAOYSA-N
MW371.78 g/mol
LogP2.45
Rot. Bonds3

About 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide

1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 66522838) has the molecular formula C18H14ClN3O4 and a molecular weight of 371.78 g/mol. Its IUPAC name is 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
PubChem CID66522838
Molecular FormulaC18H14ClN3O4
Molecular Weight371.78 g/mol
Exact Mass371.07
IUPAC Name1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(O)c(C(=O)Nc3ccccc3)c(=O)[nH]c2=O)cc1Cl
InChIInChI=1S/C18H14ClN3O4/c1-10-7-8-12(9-13(10)19)22-17(25)14(16(24)21-18(22)26)15(23)20-11-5-3-2-4-6-11/h2-9,25H,1H3,(H,20,23)(H,21,24,26)
InChIKeyULPREYJFTUZEQX-UHFFFAOYSA-N
XLogP2.45
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.78
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (CID 66522838) is 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is Cc1ccc(-n2c(O)c(C(=O)Nc3ccccc3)c(=O)[nH]c2=O)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is ULPREYJFTUZEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O4/c1-10-7-8-12(9-13(10)19)22-17(25)14(16(24)21-18(22)26)15(23)20-11-5-3-2-4-6-11/h2-9,25H,1H3,(H,20,23)(H,21,24,26).
What are the key properties of 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 371.78 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 66522838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).