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

C19H17N3O4 — CID 66522750

IUPAC1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(-n2c(O)c(C(=O)Nc3ccccc3)c(=O)[nH]c2=O)c1C
InChIInChI=1S/C19H17N3O4/c1-11-7-6-10-14(12(11)2)22-18(25)15(17(24)21-19(22)26)16(23)20-13-8-4-3-5-9-13/h3-10,25H,1-2H3,(H,20,23)(H,21,24,26)
InChIKeyYEDVQYGFZNLVLJ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.10
Rot. Bonds3

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

1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (PubChem CID 66522750) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
PubChem CID66522750
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide
SMILESCc1cccc(-n2c(O)c(C(=O)Nc3ccccc3)c(=O)[nH]c2=O)c1C
InChIInChI=1S/C19H17N3O4/c1-11-7-6-10-14(12(11)2)22-18(25)15(17(24)21-19(22)26)16(23)20-13-8-4-3-5-9-13/h3-10,25H,1-2H3,(H,20,23)(H,21,24,26)
InChIKeyYEDVQYGFZNLVLJ-UHFFFAOYSA-N
XLogP2.10
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The IUPAC name of 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide (CID 66522750) is 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The canonical SMILES for 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is Cc1cccc(-n2c(O)c(C(=O)Nc3ccccc3)c(=O)[nH]c2=O)c1C.
What is the InChIKey of 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
The InChIKey is YEDVQYGFZNLVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-11-7-6-10-14(12(11)2)22-18(25)15(17(24)21-19(22)26)16(23)20-13-8-4-3-5-9-13/h3-10,25H,1-2H3,(H,20,23)(H,21,24,26).
What are the key properties of 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide?
1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide has a molecular weight of 351.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dimethylphenyl)-6-hydroxy-2,4-dioxo-N-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 66522750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).