2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide

C16H24N4O3 — CID 70740259

IUPAC2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCCN2CCCC2=O)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)15-18-10-11(14(23)19-15)13(22)17-7-5-9-20-8-4-6-12(20)21/h10H,4-9H2,1-3H3,(H,17,22)(H,18,19,23)
InChIKeyDMASUPHPCJGVHS-UHFFFAOYSA-N
MW320.39 g/mol
LogP0.81
Rot. Bonds5

About 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide

2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide (PubChem CID 70740259) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
PubChem CID70740259
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
SMILESCC(C)(C)c1ncc(C(=O)NCCCN2CCCC2=O)c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c1-16(2,3)15-18-10-11(14(23)19-15)13(22)17-7-5-9-20-8-4-6-12(20)21/h10H,4-9H2,1-3H3,(H,17,22)(H,18,19,23)
InChIKeyDMASUPHPCJGVHS-UHFFFAOYSA-N
XLogP0.81
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-6-oxo-N-[2-(2-oxoimidazolidin-1-yl)ethyl]-1H-pyrimidine-5-carboxamide
CID 70760010
2,5-dioxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 39888703
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyridine-3-carboxamide
CID 34842840
5-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-pyrrolidin-1-yl-[1,3,4]thiadiazolo[3,2-a]pyrimidine-6-carboxamide
CID 20942852
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39888789
4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 71552784
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643
N'-tert-butyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]oxamide
CID 45000134
6-amino-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 143798014
4-chloro-1-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-5-carboxamide
CID 6464749

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide?
The IUPAC name of 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide (CID 70740259) is 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide?
The canonical SMILES for 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide is CC(C)(C)c1ncc(C(=O)NCCCN2CCCC2=O)c(=O)[nH]1.
What is the InChIKey of 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide?
The InChIKey is DMASUPHPCJGVHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c1-16(2,3)15-18-10-11(14(23)19-15)13(22)17-7-5-9-20-8-4-6-12(20)21/h10H,4-9H2,1-3H3,(H,17,22)(H,18,19,23).
What are the key properties of 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide?
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70740259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).