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

C19H26N4O3 — CID 109333139

IUPACN-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c(OC)c1
InChIInChI=1S/C19H26N4O3/c1-12(2)8-9-20-19-21-13(3)10-16(23-19)18(24)22-15-7-6-14(25-4)11-17(15)26-5/h6-7,10-12H,8-9H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyITKPVXKZSDWZLB-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.51
Rot. Bonds8

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

N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109333139) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109333139
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC NameN-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c(OC)c1
InChIInChI=1S/C19H26N4O3/c1-12(2)8-9-20-19-21-13(3)10-16(23-19)18(24)22-15-7-6-14(25-4)11-17(15)26-5/h6-7,10-12H,8-9H2,1-5H3,(H,22,24)(H,20,21,23)
InChIKeyITKPVXKZSDWZLB-UHFFFAOYSA-N
XLogP3.51
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
N-(2,4-dimethoxyphenyl)-6-methyl-2-[(4-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109327859
N-(2,5-dimethoxyphenyl)-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109318998
methyl 4-chloro-3-[[6-methyl-2-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109333151
N-(2-fluorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333115
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109331667
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-(3,5-dichlorophenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109333178
6-methyl-2-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyrimidine-4-carboxamide
CID 109333110
2-(2,4-dimethoxyanilino)-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328179
2-[2-(2-methoxyphenyl)ethylamino]-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109330925

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109333139) is N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is COc1ccc(NC(=O)c2cc(C)nc(NCCC(C)C)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is ITKPVXKZSDWZLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-12(2)8-9-20-19-21-13(3)10-16(23-19)18(24)22-15-7-6-14(25-4)11-17(15)26-5/h6-7,10-12H,8-9H2,1-5H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.51, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-6-methyl-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109333139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).