N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide

C19H24N4O — CID 109364005

IUPACN-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NC3CCCCC3)nc(C)n2)c1
InChIInChI=1S/C19H24N4O/c1-13-7-6-10-16(11-13)22-18-12-17(20-14(2)21-18)19(24)23-15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyUAQWYPOXHWPUKR-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.90
Rot. Bonds4

About N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide

N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide (PubChem CID 109364005) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
PubChem CID109364005
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NC3CCCCC3)nc(C)n2)c1
InChIInChI=1S/C19H24N4O/c1-13-7-6-10-16(11-13)22-18-12-17(20-14(2)21-18)19(24)23-15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyUAQWYPOXHWPUKR-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

6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-cyclohexyl-6-(3-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 109364037
N-cyclopentyl-6-(3,5-dimethylanilino)-2-methylpyrimidine-4-carboxamide
CID 109363336
methyl 3-[[6-(cycloheptylcarbamoyl)-2-methylpyrimidin-4-yl]amino]benzoate
CID 112846398
6-(3-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363363
N-cycloheptyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109354049
N-cyclopentyl-6-(3,4-difluoroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363428
N-cycloheptyl-2-methyl-6-[(3-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109368740
N-cyclopentyl-6-(3,5-dichloroanilino)-2-methylpyrimidine-4-carboxamide
CID 109363415
6-(2-bromo-4-methylanilino)-N-cyclopentyl-2-methylpyrimidine-4-carboxamide
CID 109363399
N-cyclopropyl-6-(3-methylanilino)-2-phenylpyrimidine-4-carboxamide
CID 112851897
N-cyclohexyl-2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidine-4-carboxamide
CID 109364049

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide (CID 109364005) is N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NC3CCCCC3)nc(C)n2)c1.
What is the InChIKey of N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
The InChIKey is UAQWYPOXHWPUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-13-7-6-10-16(11-13)22-18-12-17(20-14(2)21-18)19(24)23-15-8-4-3-5-9-15/h6-7,10-12,15H,3-5,8-9H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide?
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-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-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109364005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).