N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide

C19H24N4O2 — CID 109364037

IUPACN-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NC3CCCCC3)nc(C)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13-20-17(19(24)23-14-7-4-3-5-8-14)12-18(21-13)22-15-9-6-10-16(11-15)25-2/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyQEEUOHWUUBVYCT-UHFFFAOYSA-N
MW340.43 g/mol
LogP3.60
Rot. Bonds5

About N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide

N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109364037) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
PubChem CID109364037
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)NC3CCCCC3)nc(C)n2)c1
InChIInChI=1S/C19H24N4O2/c1-13-20-17(19(24)23-14-7-4-3-5-8-14)12-18(21-13)22-15-9-6-10-16(11-15)25-2/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyQEEUOHWUUBVYCT-UHFFFAOYSA-N
XLogP3.60
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
N-(1,1-dioxothiolan-3-yl)-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109372484
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cyclohexyl-2-(3-methoxyanilino)-6-methylpyrimidine-4-carboxamide
CID 109322884
6-(3-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850479
N-cycloheptyl-6-(2-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109373996
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-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
N-cyclopentyl-2-methyl-6-(2-phenoxyanilino)pyrimidine-4-carboxamide
CID 109363408
6-(4-methoxyanilino)-N-(3-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 112850511

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide (CID 109364037) is N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide is COc1cccc(Nc2cc(C(=O)NC3CCCCC3)nc(C)n2)c1.
What is the InChIKey of N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is QEEUOHWUUBVYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-13-20-17(19(24)23-14-7-4-3-5-8-14)12-18(21-13)22-15-9-6-10-16(11-15)25-2/h6,9-12,14H,3-5,7-8H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide?
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 3.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109364037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).