N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide

C20H26N4O — CID 109322853

IUPACN-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nc(C)cc(C(=O)NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-13-9-10-17(14(2)11-13)23-20-21-15(3)12-18(24-20)19(25)22-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyMBBKFYFVCYQZRC-UHFFFAOYSA-N
MW338.46 g/mol
LogP4.21
Rot. Bonds4

About N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide

N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322853) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
PubChem CID109322853
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC NameN-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
SMILESCc1ccc(Nc2nc(C)cc(C(=O)NC3CCCCC3)n2)c(C)c1
InChIInChI=1S/C20H26N4O/c1-13-9-10-17(14(2)11-13)23-20-21-15(3)12-18(24-20)19(25)22-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,22,25)(H,21,23,24)
InChIKeyMBBKFYFVCYQZRC-UHFFFAOYSA-N
XLogP4.21
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109319930
2-(5-chloro-2-methylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332958
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
N-cycloheptyl-2-(2-fluoroanilino)-6-methylpyrimidine-4-carboxamide
CID 109332952
2-anilino-N-cyclopentyl-6-methylpyrimidine-4-carboxamide
CID 109322174
methyl 2-[[4-(cyclohexylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322901
4-N-cyclohexyl-2-N-(2,4-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112910414
methyl 2-[[4-(cyclopentylcarbamoyl)-6-methylpyrimidin-2-yl]amino]benzoate
CID 109322231
N-cyclopentyl-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319648
N-cycloheptyl-2-(4-ethylanilino)-6-methylpyrimidine-4-carboxamide
CID 109332948
N-cyclopentyl-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319258
2-(3-acetylanilino)-N-cycloheptyl-6-methylpyrimidine-4-carboxamide
CID 109332978

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide (CID 109322853) is N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide is Cc1ccc(Nc2nc(C)cc(C(=O)NC3CCCCC3)n2)c(C)c1.
What is the InChIKey of N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is MBBKFYFVCYQZRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-13-9-10-17(14(2)11-13)23-20-21-15(3)12-18(24-20)19(25)22-16-7-5-4-6-8-16/h9-12,16H,4-8H2,1-3H3,(H,22,25)(H,21,23,24).
What are the key properties of N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide?
N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 338.46 g/mol, XLogP of 4.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(2,4-dimethylanilino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).