6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide

C15H22N4O3 — CID 131916547

IUPAC6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCCC2=O)nc(=O)[nH]1
InChIInChI=1S/C15H22N4O3/c1-10(2)8-11-9-12(18-15(22)17-11)14(21)16-5-7-19-6-3-4-13(19)20/h9-10H,3-8H2,1-2H3,(H,16,21)(H,17,18,22)
InChIKeyCBOUAJIZLFFPKV-UHFFFAOYSA-N
MW306.37 g/mol
LogP0.32
Rot. Bonds6

About 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide

6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide (PubChem CID 131916547) has the molecular formula C15H22N4O3 and a molecular weight of 306.37 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
PubChem CID131916547
Molecular FormulaC15H22N4O3
Molecular Weight306.37 g/mol
Exact Mass306.17
IUPAC Name6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide
SMILESCC(C)Cc1cc(C(=O)NCCN2CCCC2=O)nc(=O)[nH]1
InChIInChI=1S/C15H22N4O3/c1-10(2)8-11-9-12(18-15(22)17-11)14(21)16-5-7-19-6-3-4-13(19)20/h9-10H,3-8H2,1-2H3,(H,16,21)(H,17,18,22)
InChIKeyCBOUAJIZLFFPKV-UHFFFAOYSA-N
XLogP0.32
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 50.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,3-dihydroindol-1-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 131909946
N-[2-(2-oxopiperidin-1-yl)ethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 131936665
6-(2-methylpropyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]-2-oxo-1H-pyrimidine-4-carboxamide
CID 131899053
N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 91793755
6-(2-methylpropyl)-2-oxo-N-[2-(1-tricyclo[3.3.1.03,7]nonanyl)ethyl]-1H-pyrimidine-4-carboxamide
CID 156880544
N-[2-(4-amino-6-oxo-1H-pyrimidin-2-yl)ethyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide;formic acid
CID 154909657
4-(4-methyl-3,6-dihydro-2H-pyridine-1-carbonyl)-6-(2-methylpropyl)-1H-pyrimidin-2-one
CID 77088383
N-[(1-ethylbenzimidazol-2-yl)methyl]-6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxamide
CID 77090502
6-amino-N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 91789503
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
5-cyclopropyl-1-(2-methylpropyl)-N-[2-(2-oxopyrrolidin-1-yl)ethyl]pyrazole-4-carboxamide
CID 138004235
N-[2-(2-oxopiperidin-1-yl)ethyl]pyridine-2-carboxamide
CID 110743641

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide (CID 131916547) is 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide is CC(C)Cc1cc(C(=O)NCCN2CCCC2=O)nc(=O)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
The InChIKey is CBOUAJIZLFFPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O3/c1-10(2)8-11-9-12(18-15(22)17-11)14(21)16-5-7-19-6-3-4-13(19)20/h9-10H,3-8H2,1-2H3,(H,16,21)(H,17,18,22).
What are the key properties of 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide?
6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide has a molecular weight of 306.37 g/mol, XLogP of 0.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-oxo-N-[2-(2-oxopyrrolidin-1-yl)ethyl]-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 131916547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).