N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide

C18H15N3O3 — CID 110862606

IUPACN-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-16-15(11-19-18(24)20-16)17(23)21(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,20,22,24)
InChIKeyPACXDKSKVORYBA-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.91
Rot. Bonds4

About N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide

N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide (PubChem CID 110862606) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
PubChem CID110862606
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide
SMILESO=C(c1c[nH]c(=O)[nH]c1=O)N(Cc1ccccc1)c1ccccc1
InChIInChI=1S/C18H15N3O3/c22-16-15(11-19-18(24)20-16)17(23)21(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,20,22,24)
InChIKeyPACXDKSKVORYBA-UHFFFAOYSA-N
XLogP1.91
TPSA86.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide (CID 110862606) is N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide is O=C(c1c[nH]c(=O)[nH]c1=O)N(Cc1ccccc1)c1ccccc1.
What is the InChIKey of N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide?
The InChIKey is PACXDKSKVORYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c22-16-15(11-19-18(24)20-16)17(23)21(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-11H,12H2,(H2,19,20,22,24).
What are the key properties of N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide?
N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide has a molecular weight of 321.34 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2,4-dioxo-N-phenyl-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 110862606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).