N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide

C23H24N4O2 — CID 109250437

IUPACN-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C23H24N4O2/c28-22(26-18-9-3-1-4-10-18)17-15-24-23(25-16-17)27-20-13-7-8-14-21(20)29-19-11-5-2-6-12-19/h2,5-8,11-16,18H,1,3-4,9-10H2,(H,26,28)(H,24,25,27)
InChIKeyCFMQUCOVIQNKCT-UHFFFAOYSA-N
MW388.47 g/mol
LogP5.07
Rot. Bonds6

About N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide

N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide (PubChem CID 109250437) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
PubChem CID109250437
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC NameN-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1cnc(Nc2ccccc2Oc2ccccc2)nc1
InChIInChI=1S/C23H24N4O2/c28-22(26-18-9-3-1-4-10-18)17-15-24-23(25-16-17)27-20-13-7-8-14-21(20)29-19-11-5-2-6-12-19/h2,5-8,11-16,18H,1,3-4,9-10H2,(H,26,28)(H,24,25,27)
InChIKeyCFMQUCOVIQNKCT-UHFFFAOYSA-N
XLogP5.07
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
methyl 2-[[5-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109263144
N-cyclopentyl-6-(2-phenoxyanilino)pyridazine-3-carboxamide
CID 109112427
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
CID 109250365
N-cyclopentyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109249645
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
N-cyclohexyl-6-(2-propan-2-yloxyanilino)pyridine-3-carboxamide
CID 109152498
N-cyclopropyl-2-[2-(trifluoromethyl)anilino]pyrimidine-5-carboxamide
CID 109247396
2-(3-chloroanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250380
2-(3-chloroanilino)-N-cycloheptylpyrimidine-5-carboxamide
CID 109263115

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide (CID 109250437) is N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1cnc(Nc2ccccc2Oc2ccccc2)nc1.
What is the InChIKey of N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide?
The InChIKey is CFMQUCOVIQNKCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c28-22(26-18-9-3-1-4-10-18)17-15-24-23(25-16-17)27-20-13-7-8-14-21(20)29-19-11-5-2-6-12-19/h2,5-8,11-16,18H,1,3-4,9-10H2,(H,26,28)(H,24,25,27).
What are the key properties of N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 5.07, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).