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

C18H24N4O — CID 109354203

IUPACN-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NCCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-12(2)8-9-19-16-10-15(20-11-21-16)18(23)22-17-13(3)6-5-7-14(17)4/h5-7,10-12H,8-9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyHZUXMDCHWSHZHY-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.80
Rot. Bonds6

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

N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109354203) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109354203
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1cccc(C)c1NC(=O)c1cc(NCCC(C)C)ncn1
InChIInChI=1S/C18H24N4O/c1-12(2)8-9-19-16-10-15(20-11-21-16)18(23)22-17-13(3)6-5-7-14(17)4/h5-7,10-12H,8-9H2,1-4H3,(H,22,23)(H,19,20,21)
InChIKeyHZUXMDCHWSHZHY-UHFFFAOYSA-N
XLogP3.80
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354221
N-(2,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109350185
methyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109354250
2-N-(2,6-dimethylphenyl)-4-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089566
N-(2-methylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340281
4-(3-methylbutylamino)-N-(2,4,6-trimethylphenyl)pyridine-2-carboxamide
CID 109217411
N-[2-chloro-5-(trifluoromethyl)phenyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109354252
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
N-(2,6-dimethylphenyl)-6-(4-ethoxyanilino)pyrimidine-4-carboxamide
CID 109357133
N-[2-(4-fluorophenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351098
N-(2,4-dimethylphenyl)-6-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109340287
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109354203) is N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1cccc(C)c1NC(=O)c1cc(NCCC(C)C)ncn1.
What is the InChIKey of N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is HZUXMDCHWSHZHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)8-9-19-16-10-15(20-11-21-16)18(23)22-17-13(3)6-5-7-14(17)4/h5-7,10-12H,8-9H2,1-4H3,(H,22,23)(H,19,20,21).
What are the key properties of N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-6-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109354203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).