2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

C20H26N4O — CID 109322632

IUPAC2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc(NC3CCCCC3)n2)c1
InChIInChI=1S/C20H26N4O/c1-14-7-6-8-16(11-14)13-21-19(25)18-12-15(2)22-20(24-18)23-17-9-4-3-5-10-17/h6-8,11-12,17H,3-5,9-10,13H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyXWNTWIRGBZQCTJ-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds5

About 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide

2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109322632) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109322632
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1cccc(CNC(=O)c2cc(C)nc(NC3CCCCC3)n2)c1
InChIInChI=1S/C20H26N4O/c1-14-7-6-8-16(11-14)13-21-19(25)18-12-15(2)22-20(24-18)23-17-9-4-3-5-10-17/h6-8,11-12,17H,3-5,9-10,13H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyXWNTWIRGBZQCTJ-UHFFFAOYSA-N
XLogP3.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319665
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
2-(cyclopentylamino)-6-methyl-N-(pyridin-2-ylmethyl)pyrimidine-4-carboxamide
CID 109321942
2-(cyclopentylamino)-N-(furan-2-ylmethyl)-6-methylpyrimidine-4-carboxamide
CID 109321927
2-(cyclohexylamino)-6-methyl-N-propylpyrimidine-4-carboxamide
CID 109319065
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
6-methyl-2-(4-methylanilino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327711
2-(3,5-dimethylanilino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327718
2-(cyclopropylamino)-N-[(4-methoxyphenyl)methyl]-6-methylpyrimidine-4-carboxamide
CID 109319676
2-(cyclopentylamino)-6-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109320990

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109322632) is 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1cccc(CNC(=O)c2cc(C)nc(NC3CCCCC3)n2)c1.
What is the InChIKey of 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is XWNTWIRGBZQCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-7-6-8-16(11-14)13-21-19(25)18-12-15(2)22-20(24-18)23-17-9-4-3-5-10-17/h6-8,11-12,17H,3-5,9-10,13H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide?
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 338.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109322632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).