N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide

C19H24N4O — CID 109363336

IUPACN-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NC3CCCC3)nc(C)n2)c1
InChIInChI=1S/C19H24N4O/c1-12-8-13(2)10-16(9-12)22-18-11-17(20-14(3)21-18)19(24)23-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyFRLCCZHTDANZCS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.82
Rot. Bonds4

About N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide

N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363336) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109363336
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1cc(C)cc(Nc2cc(C(=O)NC3CCCC3)nc(C)n2)c1
InChIInChI=1S/C19H24N4O/c1-12-8-13(2)10-16(9-12)22-18-11-17(20-14(3)21-18)19(24)23-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,23,24)(H,20,21,22)
InChIKeyFRLCCZHTDANZCS-UHFFFAOYSA-N
XLogP3.82
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363399
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049
N-cyclopropyl-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109339315
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
N-cyclopropyl-6-(2,6-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109361061
N-cyclopentyl-2-methyl-6-(prop-2-enylamino)pyrimidine-4-carboxamide
CID 109361162

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide (CID 109363336) is N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide is Cc1cc(C)cc(Nc2cc(C(=O)NC3CCCC3)nc(C)n2)c1.
What is the InChIKey of N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is FRLCCZHTDANZCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-12-8-13(2)10-16(9-12)22-18-11-17(20-14(3)21-18)19(24)23-15-6-4-5-7-15/h8-11,15H,4-7H2,1-3H3,(H,23,24)(H,20,21,22).
What are the key properties of N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.82, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).