3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

C22H23N3O3 — CID 3582808

IUPAC3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1C
InChIInChI=1S/C22H23N3O3/c1-13(2)16-6-8-17(9-7-16)24-20(26)19-12-23-22(28)25(21(19)27)18-10-5-14(3)15(4)11-18/h5-13H,1-4H3,(H,23,28)(H,24,26)
InChIKeyGZBALSMAJDSZAM-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.52
Rot. Bonds4

About 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide

3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (PubChem CID 3582808) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
PubChem CID3582808
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1C
InChIInChI=1S/C22H23N3O3/c1-13(2)16-6-8-17(9-7-16)24-20(26)19-12-23-22(28)25(21(19)27)18-10-5-14(3)15(4)11-18/h5-13H,1-4H3,(H,23,28)(H,24,26)
InChIKeyGZBALSMAJDSZAM-UHFFFAOYSA-N
XLogP3.52
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide (CID 3582808) is 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is Cc1ccc(-n2c(=O)[nH]cc(C(=O)Nc3ccc(C(C)C)cc3)c2=O)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is GZBALSMAJDSZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-13(2)16-6-8-17(9-7-16)24-20(26)19-12-23-22(28)25(21(19)27)18-10-5-14(3)15(4)11-18/h5-13H,1-4H3,(H,23,28)(H,24,26).
What are the key properties of 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide?
3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-2,4-dioxo-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3582808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).