N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide

C20H26N4O2 — CID 109364039

IUPACN-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NC2CCCCC2)nc(C)n1
InChIInChI=1S/C20H26N4O2/c1-3-26-18-12-8-7-11-16(18)24-19-13-17(21-14(2)22-19)20(25)23-15-9-5-4-6-10-15/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyYHDWZNZVOAVURZ-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.99
Rot. Bonds6

About N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide

N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364039) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364039
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCCOc1ccccc1Nc1cc(C(=O)NC2CCCCC2)nc(C)n1
InChIInChI=1S/C20H26N4O2/c1-3-26-18-12-8-7-11-16(18)24-19-13-17(21-14(2)22-19)20(25)23-15-9-5-4-6-10-15/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyYHDWZNZVOAVURZ-UHFFFAOYSA-N
XLogP3.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.99
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-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
6-(2-ethoxyanilino)-2-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109360701
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
6-(2-ethoxyanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846855
6-(2-ethoxyanilino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368678
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
6-(2-ethoxyanilino)-2-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109370912
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 109364039) is N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide is CCOc1ccccc1Nc1cc(C(=O)NC2CCCCC2)nc(C)n1.
What is the InChIKey of N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YHDWZNZVOAVURZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-3-26-18-12-8-7-11-16(18)24-19-13-17(21-14(2)22-19)20(25)23-15-9-5-4-6-10-15/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,23,25)(H,21,22,24).
What are the key properties of N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).