2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide

C19H18N6O3 — CID 90545012

IUPAC2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N6O3/c26-17(23-15-10-16(22-12-21-15)24-8-4-5-9-24)14-11-20-19(28)25(18(14)27)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,20,28)(H,21,22,23,26)
InChIKeyYOXUQXLKYXQIEB-UHFFFAOYSA-N
MW378.39 g/mol
LogP1.17
Rot. Bonds4

About 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide

2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide (PubChem CID 90545012) has the molecular formula C19H18N6O3 and a molecular weight of 378.39 g/mol. Its IUPAC name is 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide
PubChem CID90545012
Molecular FormulaC19H18N6O3
Molecular Weight378.39 g/mol
Exact Mass378.14
IUPAC Name2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide
SMILESO=C(Nc1cc(N2CCCC2)ncn1)c1c[nH]c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C19H18N6O3/c26-17(23-15-10-16(22-12-21-15)24-8-4-5-9-24)14-11-20-19(28)25(18(14)27)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,20,28)(H,21,22,23,26)
InChIKeyYOXUQXLKYXQIEB-UHFFFAOYSA-N
XLogP1.17
TPSA112.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.39
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-dioxo-3-phenyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]-1H-pyrimidine-5-carboxamide
CID 90545379
2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
2,5-dichloro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545170
2,4-dimethyl-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545410
1-phenyl-3-(6-piperidin-1-ylpyrimidin-4-yl)urea
CID 90544742
2-ethylsulfanyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 90544989
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
N-(6-piperidin-1-ylpyrimidin-4-yl)pyrimidine-2-carboxamide
CID 90544711
2-chloro-N-(6-morpholin-4-ylpyrimidin-4-yl)benzamide
CID 90544108
N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]cyclohexanecarboxamide
CID 90545334

Frequently Asked Questions

What is the IUPAC name of 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide (CID 90545012) is 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide is O=C(Nc1cc(N2CCCC2)ncn1)c1c[nH]c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide?
The InChIKey is YOXUQXLKYXQIEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O3/c26-17(23-15-10-16(22-12-21-15)24-8-4-5-9-24)14-11-20-19(28)25(18(14)27)13-6-2-1-3-7-13/h1-3,6-7,10-12H,4-5,8-9H2,(H,20,28)(H,21,22,23,26).
What are the key properties of 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide?
2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide has a molecular weight of 378.39 g/mol, XLogP of 1.17, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dioxo-3-phenyl-N-(6-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 90545012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).