4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

C25H34N6O2 — CID 71552784

IUPAC4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1
InChIInChI=1S/C25H34N6O2/c1-18-9-11-19(12-10-18)16-27-25-28-17-21(23(30-25)29-20-6-2-3-7-20)24(33)26-13-5-15-31-14-4-8-22(31)32/h9-12,17,20H,2-8,13-16H2,1H3,(H,26,33)(H2,27,28,29,30)
InChIKeyNVEATVVIBHNSQG-UHFFFAOYSA-N
MW450.59 g/mol
LogP3.49
Rot. Bonds10

About 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide

4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (PubChem CID 71552784) has the molecular formula C25H34N6O2 and a molecular weight of 450.59 g/mol. Its IUPAC name is 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
PubChem CID71552784
Molecular FormulaC25H34N6O2
Molecular Weight450.59 g/mol
Exact Mass450.27
IUPAC Name4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
SMILESCc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1
InChIInChI=1S/C25H34N6O2/c1-18-9-11-19(12-10-18)16-27-25-28-17-21(23(30-25)29-20-6-2-3-7-20)24(33)26-13-5-15-31-14-4-8-22(31)32/h9-12,17,20H,2-8,13-16H2,1H3,(H,26,33)(H2,27,28,29,30)
InChIKeyNVEATVVIBHNSQG-UHFFFAOYSA-N
XLogP3.49
TPSA99.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.59
LogP ≤ 53.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenyl)methylamino]-4-(cyclopentylamino)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 71552866
4-(cyclopropylamino)-2-[(2,5-dichlorophenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide
CID 164627715
2-tert-butyl-6-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1H-pyrimidine-5-carboxamide
CID 70740259
7-(difluoromethyl)-5-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 2169020
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
N-benzyl-4-(cyclopropylamino)-2-(3,3-diphenylpropylamino)pyrimidine-5-carboxamide
CID 45488788
N-cyclopentyl-2-[(4-methylphenyl)methylamino]pyrimidine-5-carboxamide
CID 109249542
3-(4-methylphenyl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1-phenylpyrazole-4-carboxamide
CID 24982065
6-N-cyclopentyl-5,6-dimethyl-4-oxo-2-N-[3-(2-oxopyrrolidin-1-yl)propyl]-7H-pyrazolo[1,5-a]pyrazine-2,6-dicarboxamide
CID 46278746
(2R)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712196
(2S)-N-[(4-methylphenyl)methyl]-2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidine-1-carboxamide
CID 95712197

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The IUPAC name of 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide (CID 71552784) is 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide.
What is the SMILES notation for 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The canonical SMILES for 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is Cc1ccc(CNc2ncc(C(=O)NCCCN3CCCC3=O)c(NC3CCCC3)n2)cc1.
What is the InChIKey of 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
The InChIKey is NVEATVVIBHNSQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O2/c1-18-9-11-19(12-10-18)16-27-25-28-17-21(23(30-25)29-20-6-2-3-7-20)24(33)26-13-5-15-31-14-4-8-22(31)32/h9-12,17,20H,2-8,13-16H2,1H3,(H,26,33)(H2,27,28,29,30).
What are the key properties of 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide?
4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide has a molecular weight of 450.59 g/mol, XLogP of 3.49, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylamino)-2-[(4-methylphenyl)methylamino]-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrimidine-5-carboxamide is sourced from PubChem (CID 71552784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).