6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

C20H28N4O — CID 109333110

IUPAC6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c(C)c1
InChIInChI=1S/C20H28N4O/c1-12(2)7-8-21-20-22-16(6)11-17(23-20)19(25)24-18-14(4)9-13(3)10-15(18)5/h9-12H,7-8H2,1-6H3,(H,24,25)(H,21,22,23)
InChIKeyRDPOVYWRPIAUEY-UHFFFAOYSA-N
MW340.47 g/mol
LogP4.42
Rot. Bonds6

About 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide

6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (PubChem CID 109333110) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
PubChem CID109333110
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c(C)c1
InChIInChI=1S/C20H28N4O/c1-12(2)7-8-21-20-22-16(6)11-17(23-20)19(25)24-18-14(4)9-13(3)10-15(18)5/h9-12H,7-8H2,1-6H3,(H,24,25)(H,21,22,23)
InChIKeyRDPOVYWRPIAUEY-UHFFFAOYSA-N
XLogP4.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 54.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
2-(butan-2-ylamino)-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109321282
N-(3,4-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333175
N-(4-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333116
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333115
N-butyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109320680
N-(3-acetylphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333144
N-(3-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333161
N-(2-chloro-4,6-dimethylphenyl)-2-[3-(dimethylamino)propylamino]-6-methylpyrimidine-4-carboxamide
CID 109325499
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-cyclohexyl-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109322838
2-[(2-fluorophenyl)methylamino]-6-methyl-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109328473

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide (CID 109333110) is 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c(C)c1.
What is the InChIKey of 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
The InChIKey is RDPOVYWRPIAUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c1-12(2)7-8-21-20-22-16(6)11-17(23-20)19(25)24-18-14(4)9-13(3)10-15(18)5/h9-12H,7-8H2,1-6H3,(H,24,25)(H,21,22,23).
What are the key properties of 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide?
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 4.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).