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

C20H26N4O — CID 109363787

IUPAC6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCC2)cc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C20H26N4O/c1-14-8-6-7-9-16(14)13-21-20(25)18-12-19(23-15(2)22-18)24-17-10-4-3-5-11-17/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyPYOMTJIPCRQWJP-UHFFFAOYSA-N
MW338.45 g/mol
LogP3.77
Rot. Bonds5

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

6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109363787) has the molecular formula C20H26N4O and a molecular weight of 338.45 g/mol. Its IUPAC name is 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109363787
Molecular FormulaC20H26N4O
Molecular Weight338.45 g/mol
Exact Mass338.21
IUPAC Name6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCC2)cc(C(=O)NCc2ccccc2C)n1
InChIInChI=1S/C20H26N4O/c1-14-8-6-7-9-16(14)13-21-20(25)18-12-19(23-15(2)22-18)24-17-10-4-3-5-11-17/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKeyPYOMTJIPCRQWJP-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

6-(cyclohexylamino)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363792
5-(cycloheptylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109279992
6-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyridazine-3-carboxamide
CID 109112095
6-(cycloheptylamino)-N-[2-(2-fluorophenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109371830
6-(cyclohexylamino)-N-[2-(2-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109363807
6-(cyclohexylamino)-2-methyl-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109362124
6-(azepan-1-yl)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109368644
6-(cyclohexylamino)-N-(2-methoxyethyl)-2-methylpyrimidine-4-carboxamide
CID 109363775
5-(cyclopropylamino)-N-[(2-methylphenyl)methyl]pyrazine-2-carboxamide
CID 109271771
6-(cyclohexylamino)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109363819
6-(cyclohexylamino)-N-(3-methoxypropyl)-2-methylpyrimidine-4-carboxamide
CID 109363776
6-(2-methoxyethylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109364632

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide (CID 109363787) is 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is Cc1nc(NC2CCCCC2)cc(C(=O)NCc2ccccc2C)n1.
What is the InChIKey of 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is PYOMTJIPCRQWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-14-8-6-7-9-16(14)13-21-20(25)18-12-19(23-15(2)22-18)24-17-10-4-3-5-11-17/h6-9,12,17H,3-5,10-11,13H2,1-2H3,(H,21,25)(H,22,23,24).
What are the key properties of 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide?
6-(cyclohexylamino)-2-methyl-N-[(2-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 6-(cyclohexylamino)-2-methyl-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109363787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).