N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C20H26N4O2 — CID 109373996

IUPACN-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C20H26N4O2/c1-14-21-17(20(25)23-15-9-5-3-4-6-10-15)13-19(22-14)24-16-11-7-8-12-18(16)26-2/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyIBEQLJUCAQARFL-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.99
Rot. Bonds5

About N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109373996) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109373996
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1ccccc1Nc1cc(C(=O)NC2CCCCCC2)nc(C)n1
InChIInChI=1S/C20H26N4O2/c1-14-21-17(20(25)23-15-9-5-3-4-6-10-15)13-19(22-14)24-16-11-7-8-12-18(16)26-2/h7-8,11-13,15H,3-6,9-10H2,1-2H3,(H,23,25)(H,21,22,24)
InChIKeyIBEQLJUCAQARFL-UHFFFAOYSA-N
XLogP3.99
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-cyclohexyl-6-(2-ethoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364039
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
methyl 2-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846397
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
N-cyclopropyl-6-(2-methoxyanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851919
N-cyclohexyl-2-methyl-6-(2-morpholin-4-ylanilino)pyrimidine-4-carboxamide
CID 109364061
N-tert-butyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373828
6-(2-chloroanilino)-N-cyclopropyl-2-methylpyrimidine-4-carboxamide
CID 109361076
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
N-cyclohexyl-6-(2-methoxyanilino)pyridine-3-carboxamide
CID 648229
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
N-(2-ethylphenyl)-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849362

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 109373996) is N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1ccccc1Nc1cc(C(=O)NC2CCCCCC2)nc(C)n1.
What is the InChIKey of N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is IBEQLJUCAQARFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-14-21-17(20(25)23-15-9-5-3-4-6-10-15)13-19(22-14)24-16-11-7-8-12-18(16)26-2/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-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 354.45 g/mol, XLogP of 3.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109373996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).