6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide

C18H21BrN4O — CID 109363399

IUPAC6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCC3)nc(C)n2)c(Br)c1
InChIInChI=1S/C18H21BrN4O/c1-11-7-8-15(14(19)9-11)23-17-10-16(20-12(2)21-17)18(24)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyIIVPHDRZNIPSMW-UHFFFAOYSA-N
MW389.30 g/mol
LogP4.27
Rot. Bonds4

About 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide

6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide (PubChem CID 109363399) has the molecular formula C18H21BrN4O and a molecular weight of 389.30 g/mol. Its IUPAC name is 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
PubChem CID109363399
Molecular FormulaC18H21BrN4O
Molecular Weight389.30 g/mol
Exact Mass388.09
IUPAC Name6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2cc(C(=O)NC3CCCC3)nc(C)n2)c(Br)c1
InChIInChI=1S/C18H21BrN4O/c1-11-7-8-15(14(19)9-11)23-17-10-16(20-12(2)21-17)18(24)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyIIVPHDRZNIPSMW-UHFFFAOYSA-N
XLogP4.27
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.30
LogP ≤ 54.27
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-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
6-(2-bromo-4-methylanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846884
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109366304
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide?
The IUPAC name of 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide (CID 109363399) is 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide is Cc1ccc(Nc2cc(C(=O)NC3CCCC3)nc(C)n2)c(Br)c1.
What is the InChIKey of 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide?
The InChIKey is IIVPHDRZNIPSMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN4O/c1-11-7-8-15(14(19)9-11)23-17-10-16(20-12(2)21-17)18(24)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide?
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide has a molecular weight of 389.30 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).