2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

C19H24N4O — CID 109250548

IUPAC2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C19H24N4O/c1-13-7-6-8-14(2)17(13)23-18(24)15-11-20-19(21-12-15)22-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyZICABLDGRJCYCI-UHFFFAOYSA-N
MW324.43 g/mol
LogP4.09
Rot. Bonds4

About 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide

2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109250548) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
PubChem CID109250548
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC Name2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C19H24N4O/c1-13-7-6-8-14(2)17(13)23-18(24)15-11-20-19(21-12-15)22-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyZICABLDGRJCYCI-UHFFFAOYSA-N
XLogP4.09
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopropylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109247554
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
N-(2,6-dimethylphenyl)-2-(propan-2-ylamino)pyrimidine-5-carboxamide
CID 109247161
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(cyclopentylamino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109297937
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
2-(cyclopentylamino)-N-[(2-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109249729
2-(2,6-dimethylanilino)-N-(2,4,6-trimethylphenyl)pyrimidine-5-carboxamide
CID 109267067
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
2-(cycloheptylamino)-N-(4-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109263206
N-tert-butyl-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109262837

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide (CID 109250548) is 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is Cc1cccc(C)c1NC(=O)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is ZICABLDGRJCYCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-7-6-8-14(2)17(13)23-18(24)15-11-20-19(21-12-15)22-16-9-4-3-5-10-16/h6-8,11-12,16H,3-5,9-10H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide?
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 4.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).