N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide

C19H24N4O — CID 109250365

IUPACN-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NC3CCCCC3)cn2)c1C
InChIInChI=1S/C19H24N4O/c1-13-7-6-10-17(14(13)2)23-19-20-11-15(12-21-19)18(24)22-16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyJJRIMRRWVIFXER-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.90
Rot. Bonds4

About N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide

N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide (PubChem CID 109250365) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
PubChem CID109250365
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide
SMILESCc1cccc(Nc2ncc(C(=O)NC3CCCCC3)cn2)c1C
InChIInChI=1S/C19H24N4O/c1-13-7-6-10-17(14(13)2)23-19-20-11-15(12-21-19)18(24)22-16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyJJRIMRRWVIFXER-UHFFFAOYSA-N
XLogP3.90
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 ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[[5-(cycloheptylcarbamoyl)pyrimidin-2-yl]amino]benzoate
CID 109263144
N-cyclopentyl-2-(2-methyl-6-propan-2-ylanilino)pyrimidine-5-carboxamide
CID 109249626
N-cycloheptyl-2-(2-ethoxyanilino)pyrimidine-5-carboxamide
CID 109263129
N-cycloheptyl-2-(3,4-dimethylanilino)pyrimidine-5-carboxamide
CID 109263097
N-cyclohexyl-2-[2,6-di(propan-2-yl)anilino]pyrimidine-5-carboxamide
CID 109250432
N-cyclopentyl-2-(2,4,6-trimethylanilino)pyrimidine-5-carboxamide
CID 109249624
N-cyclohexyl-2-(2-phenoxyanilino)pyrimidine-5-carboxamide
CID 109250437
4-N-cycloheptyl-2-N-(2,3-dimethylphenyl)pyridine-2,4-dicarboxamide
CID 109089379
N-cyclopentyl-4-(2,3-dimethylanilino)pyridine-2-carboxamide
CID 109204081
N-cycloheptyl-2-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 109263127
2-(4-chloro-2-methoxy-5-methylanilino)-N-cyclohexylpyrimidine-5-carboxamide
CID 109250448
2-(4-chloro-2-methylanilino)-N-cyclopropylpyrimidine-5-carboxamide
CID 109247377

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide (CID 109250365) is N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide is Cc1cccc(Nc2ncc(C(=O)NC3CCCCC3)cn2)c1C.
What is the InChIKey of N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide?
The InChIKey is JJRIMRRWVIFXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-7-6-10-17(14(13)2)23-19-20-11-15(12-21-19)18(24)22-16-8-4-3-5-9-16/h6-7,10-12,16H,3-5,8-9H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide?
N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,3-dimethylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).