N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

C21H28N4O — CID 109322195

IUPACN-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H28N4O/c1-13(2)17-11-7-8-14(3)19(17)25-21-22-15(4)12-18(24-21)20(26)23-16-9-5-6-10-16/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyGWEHVZYITKGYAM-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.63
Rot. Bonds5

About N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide

N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (PubChem CID 109322195) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
PubChem CID109322195
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCC2)nc(Nc2c(C)cccc2C(C)C)n1
InChIInChI=1S/C21H28N4O/c1-13(2)17-11-7-8-14(3)19(17)25-21-22-15(4)12-18(24-21)20(26)23-16-9-5-6-10-16/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H,23,26)(H,22,24,25)
InChIKeyGWEHVZYITKGYAM-UHFFFAOYSA-N
XLogP4.63
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109249626
2-(cyclopropylamino)-6-methyl-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319753
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
N-(2-methoxyphenyl)-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109336648
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109322853
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
N-cyclopropyl-6-[2,6-di(propan-2-yl)anilino]-2-methylpyrimidine-4-carboxamide
CID 109361130

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide (CID 109322195) is N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCC2)nc(Nc2c(C)cccc2C(C)C)n1.
What is the InChIKey of N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
The InChIKey is GWEHVZYITKGYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-13(2)17-11-7-8-14(3)19(17)25-21-22-15(4)12-18(24-21)20(26)23-16-9-5-6-10-16/h7-8,11-13,16H,5-6,9-10H2,1-4H3,(H,23,26)(H,22,24,25).
What are the key properties of N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide?
N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.63, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-methyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109322195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).