N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

C19H24N4O — CID 109341985

IUPACN-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)NC3CCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14-6-5-7-15(10-14)12-20-18-11-17(21-13-22-18)19(24)23-16-8-3-2-4-9-16/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyIDCIAVISQHXOGU-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.46
Rot. Bonds5

About N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide

N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (PubChem CID 109341985) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
PubChem CID109341985
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
SMILESCc1cccc(CNc2cc(C(=O)NC3CCCCC3)ncn2)c1
InChIInChI=1S/C19H24N4O/c1-14-6-5-7-15(10-14)12-20-18-11-17(21-13-22-18)19(24)23-16-8-3-2-4-9-16/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyIDCIAVISQHXOGU-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

N-cycloheptyl-2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368740
N-cyclopentyl-6-[(3-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109112282
6-(cyclohexylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341823
6-(cyclopentylamino)-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109341214
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
4-N-cycloheptyl-6-N-[(3-methylphenyl)methyl]pyrimidine-4,6-diamine
CID 112859063
N-cyclopentyl-6-methyl-2-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109322113
6-[(3-methylphenyl)methylamino]-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109347033
6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
N-(2-methylphenyl)-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109347068
N-[2-(cyclohexen-1-yl)ethyl]-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109342637
N-cyclopentyl-6-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109341395

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide (CID 109341985) is N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is Cc1cccc(CNc2cc(C(=O)NC3CCCCC3)ncn2)c1.
What is the InChIKey of N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
The InChIKey is IDCIAVISQHXOGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-14-6-5-7-15(10-14)12-20-18-11-17(21-13-22-18)19(24)23-16-8-3-2-4-9-16/h5-7,10-11,13,16H,2-4,8-9,12H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-cyclohexyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide?
N-cyclohexyl-6-[(3-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-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide is sourced from PubChem (CID 109341985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).