N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

C19H24N4O — CID 109298788

IUPACN-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNc1nccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H24N4O/c1-14-7-5-6-8-15(14)13-21-19-20-12-11-17(23-19)18(24)22-16-9-3-2-4-10-16/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyMSLBOGMBUPFEIS-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.46
Rot. Bonds5

About N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109298788) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109298788
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1ccccc1CNc1nccc(C(=O)NC2CCCCC2)n1
InChIInChI=1S/C19H24N4O/c1-14-7-5-6-8-15(14)13-21-19-20-12-11-17(23-19)18(24)22-16-9-3-2-4-10-16/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,22,24)(H,20,21,23)
InChIKeyMSLBOGMBUPFEIS-UHFFFAOYSA-N
XLogP3.46
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)-N-cycloheptylpyrimidine-4-carboxamide
CID 109303634
N-cyclohexyl-2-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109298801
N-cyclopentyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109294728
N-(2-methylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303953
N-cycloheptyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307486
N-cycloheptyl-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299667
N-cyclopentyl-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109298065
N-[3-(dimethylamino)propyl]-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109301859
N-cycloheptyl-2-(cycloheptylamino)pyrimidine-4-carboxamide
CID 109311427
N-cyclohexyl-2-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109298589
N-(2,3-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303964
N-cyclohexyl-2-[(2-fluorophenyl)methylamino]-6-methylpyrimidine-4-carboxamide
CID 109322796

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109298788) is N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1ccccc1CNc1nccc(C(=O)NC2CCCCC2)n1.
What is the InChIKey of N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is MSLBOGMBUPFEIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-7-5-6-8-15(14)13-21-19-20-12-11-17(23-19)18(24)22-16-9-3-2-4-10-16/h5-8,11-12,16H,2-4,9-10,13H2,1H3,(H,22,24)(H,20,21,23).
What are the key properties of N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109298788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).