N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

C19H17N3O3 — CID 3473028

IUPACN-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-2-13-8-10-14(11-9-13)21-17(23)16-12-20-19(25)22(18(16)24)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,25)(H,21,23)
InChIKeyPYOXPLYLUBEKEQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP2.34
Rot. Bonds4

About N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide

N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 3473028) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID3473028
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
SMILESCCc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1
InChIInChI=1S/C19H17N3O3/c1-2-13-8-10-14(11-9-13)21-17(23)16-12-20-19(25)22(18(16)24)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,25)(H,21,23)
InChIKeyPYOXPLYLUBEKEQ-UHFFFAOYSA-N
XLogP2.34
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide (CID 3473028) is N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is CCc1ccc(NC(=O)c2c[nH]c(=O)n(-c3ccccc3)c2=O)cc1.
What is the InChIKey of N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is PYOXPLYLUBEKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-13-8-10-14(11-9-13)21-17(23)16-12-20-19(25)22(18(16)24)15-6-4-3-5-7-15/h3-12H,2H2,1H3,(H,20,25)(H,21,23).
What are the key properties of N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide?
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 335.36 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 3473028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).