2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide

C20H26N4O — CID 109322795

IUPAC2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-15-13-18(19(25)22-17-11-7-4-8-12-17)23-20(21-15)24(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,22,25)
InChIKeyBLVRFERGGHKZNP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.48
Rot. Bonds5

About 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide

2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide (PubChem CID 109322795) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
PubChem CID109322795
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)NC2CCCCC2)nc(N(C)Cc2ccccc2)n1
InChIInChI=1S/C20H26N4O/c1-15-13-18(19(25)22-17-11-7-4-8-12-17)23-20(21-15)24(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,22,25)
InChIKeyBLVRFERGGHKZNP-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[benzyl(propan-2-yl)amino]-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322163
N-cyclohexyl-6-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]pyrimidine-4-carboxamide
CID 109322814
2-[benzyl(methyl)amino]-6-methyl-N-propan-2-ylpyrimidine-4-carboxamide
CID 109319475
2-N-benzyl-4-N-cyclopentyl-2-N,6-dimethylpyrimidine-2,4-diamine
CID 112909623
5-[benzyl(methyl)amino]-N-cycloheptylpyridine-2-carboxamide
CID 109189250
2-[benzyl(ethyl)amino]-N-cyclohexylpyrimidine-4-carboxamide
CID 109298800
N-cyclohexyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109322833
N-cycloheptyl-6-methyl-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109332449
2-[benzyl(methyl)amino]-N-[2-(4-fluorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328218
[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]-piperidin-1-ylmethanone
CID 109322452
azepan-1-yl-[2-[benzyl(methyl)amino]-6-methylpyrimidin-4-yl]methanone
CID 109328241
2-[benzyl(methyl)amino]-N-[2-(3-chlorophenyl)ethyl]-6-methylpyrimidine-4-carboxamide
CID 109328240

Frequently Asked Questions

What is the IUPAC name of 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide (CID 109322795) is 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)NC2CCCCC2)nc(N(C)Cc2ccccc2)n1.
What is the InChIKey of 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide?
The InChIKey is BLVRFERGGHKZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-15-13-18(19(25)22-17-11-7-4-8-12-17)23-20(21-15)24(2)14-16-9-5-3-6-10-16/h3,5-6,9-10,13,17H,4,7-8,11-12,14H2,1-2H3,(H,22,25).
What are the key properties of 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide?
2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[benzyl(methyl)amino]-N-cyclohexyl-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).