6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide

C21H28N4O2 — CID 91777783

IUPAC6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCC(CNC(=O)c3cc(C(C)(C)C)[nH]c(=O)n3)C2)c1
InChIInChI=1S/C21H28N4O2/c1-14-6-5-7-16(10-14)25-9-8-15(13-25)12-22-19(26)17-11-18(21(2,3)4)24-20(27)23-17/h5-7,10-11,15H,8-9,12-13H2,1-4H3,(H,22,26)(H,23,24,27)
InChIKeyWUOFISBMCNEMOI-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.63
Rot. Bonds4

About 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide

6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide (PubChem CID 91777783) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
PubChem CID91777783
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide
SMILESCc1cccc(N2CCC(CNC(=O)c3cc(C(C)(C)C)[nH]c(=O)n3)C2)c1
InChIInChI=1S/C21H28N4O2/c1-14-6-5-7-16(10-14)25-9-8-15(13-25)12-22-19(26)17-11-18(21(2,3)4)24-20(27)23-17/h5-7,10-11,15H,8-9,12-13H2,1-4H3,(H,22,26)(H,23,24,27)
InChIKeyWUOFISBMCNEMOI-UHFFFAOYSA-N
XLogP2.63
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1-Propionylpiperidin-4-yl)-3-m-tolylurea
CID 49782798
N-(2-Methylphenyl)-N'-[3-(2-oxo-1-pyrrolidinyl)propyl]urea
CID 24818661
1-(4-Ethylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 3469354
1-cyclohexyl-N-(3-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 2991467
1-(4-Methylphenyl)-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 2238198
US11787802, Example 141
CID 169489705
US11787802, Example 146
CID 169489710
(5R)-9-acetyl-N-(3-cyanophenyl)-2,9-diazaspiro[4.5]decane-2-carboxamide
CID 3234153
1-((5-Oxo-1-phenylpyrrolidin-3-yl)methyl)-3-(3-(trifluoromethyl)phenyl)urea
CID 16919949
1-((1-(4-Fluorobenzyl)-5-oxopyrrolidin-3-yl)methyl)-3-(m-tolyl)urea
CID 16920344
1-(3-Methylphenyl)-3-(2-oxo-2-pyrrolidin-1-ylethyl)urea
CID 41511020
1-[3-[(2-Oxopyrrolidin-1-yl)methyl]phenyl]-3-(2-phenylpropyl)urea
CID 47033863

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The IUPAC name of 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide (CID 91777783) is 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide.
What is the SMILES notation for 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The canonical SMILES for 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide is Cc1cccc(N2CCC(CNC(=O)c3cc(C(C)(C)C)[nH]c(=O)n3)C2)c1.
What is the InChIKey of 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
The InChIKey is WUOFISBMCNEMOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-14-6-5-7-16(10-14)25-9-8-15(13-25)12-22-19(26)17-11-18(21(2,3)4)24-20(27)23-17/h5-7,10-11,15H,8-9,12-13H2,1-4H3,(H,22,26)(H,23,24,27).
What are the key properties of 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide?
6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-N-[[1-(3-methylphenyl)pyrrolidin-3-yl]methyl]-2-oxo-1H-pyrimidine-4-carboxamide is sourced from PubChem (CID 91777783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).