N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide

C23H24N4O2 — CID 109363408

IUPACN-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Oc2ccccc2)cc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C23H24N4O2/c1-16-24-20(23(28)26-17-9-5-6-10-17)15-22(25-16)27-19-13-7-8-14-21(19)29-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyOZRJOLCDGFDOKK-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.99
Rot. Bonds6

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

N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide (PubChem CID 109363408) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
PubChem CID109363408
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
SMILESCc1nc(Nc2ccccc2Oc2ccccc2)cc(C(=O)NC2CCCC2)n1
InChIInChI=1S/C23H24N4O2/c1-16-24-20(23(28)26-17-9-5-6-10-17)15-22(25-16)27-19-13-7-8-14-21(19)29-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H,26,28)(H,24,25,27)
InChIKeyOZRJOLCDGFDOKK-UHFFFAOYSA-N
XLogP4.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
N-(3-methoxypropyl)-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109365314
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
2-methyl-6-(2-phenoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109361525
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363399
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
N-cyclopropyl-6-(2,3-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109361144

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide (CID 109363408) is N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide is Cc1nc(Nc2ccccc2Oc2ccccc2)cc(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
The InChIKey is OZRJOLCDGFDOKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-16-24-20(23(28)26-17-9-5-6-10-17)15-22(25-16)27-19-13-7-8-14-21(19)29-18-11-3-2-4-12-18/h2-4,7-8,11-15,17H,5-6,9-10H2,1H3,(H,26,28)(H,24,25,27).
What are the key properties of N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide?
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109363408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).