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

C17H18F2N4O — CID 109363428

IUPACN-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C17H18F2N4O/c1-10-20-15(17(24)23-11-4-2-3-5-11)9-16(21-10)22-12-6-7-13(18)14(19)8-12/h6-9,11H,2-5H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHRHUXGUXLIOSIV-UHFFFAOYSA-N
MW332.35 g/mol
LogP3.48
Rot. Bonds4

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

N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363428) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109363428
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC NameN-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C17H18F2N4O/c1-10-20-15(17(24)23-11-4-2-3-5-11)9-16(21-10)22-12-6-7-13(18)14(19)8-12/h6-9,11H,2-5H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyHRHUXGUXLIOSIV-UHFFFAOYSA-N
XLogP3.48
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
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-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
6-(1,3-benzodioxol-5-ylamino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361128
6-(3,4-difluoroanilino)-N-(2,6-dimethylphenyl)-2-methylpyrimidine-4-carboxamide
CID 112849232
6-(3,4-difluoroanilino)-2-methyl-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 112851218
N-(4-cyanophenyl)-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 112851206

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide (CID 109363428) is N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide is Cc1nc(Nc2ccc(F)c(F)c2)cc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is HRHUXGUXLIOSIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c1-10-20-15(17(24)23-11-4-2-3-5-11)9-16(21-10)22-12-6-7-13(18)14(19)8-12/h6-9,11H,2-5H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).