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

C18H24N4O — CID 109311752

IUPACN-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCCC(C)C)n2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-12(2)7-9-19-18-20-10-8-16(22-18)17(23)21-15-6-5-13(3)11-14(15)4/h5-6,8,10-12H,7,9H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyWVURUDNTTKGLHS-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.80
Rot. Bonds6

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

N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (PubChem CID 109311752) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
PubChem CID109311752
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC NameN-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
SMILESCc1ccc(NC(=O)c2ccnc(NCCC(C)C)n2)c(C)c1
InChIInChI=1S/C18H24N4O/c1-12(2)7-9-19-18-20-10-8-16(22-18)17(23)21-15-6-5-13(3)11-14(15)4/h5-6,8,10-12H,7,9H2,1-4H3,(H,21,23)(H,19,20,22)
InChIKeyWVURUDNTTKGLHS-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-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
2-(butylamino)-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109296399
N-(2,4-dimethylphenyl)-2-(2-methoxyethylamino)pyrimidine-4-carboxamide
CID 109299687
N-(5-chloro-2-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311775
N-(2,4-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307504
N-(2,4-dimethylphenyl)-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-4-carboxamide
CID 109311111
N-(2,4-dimethylphenyl)-2-(3-phenylpropylamino)pyrimidine-4-carboxamide
CID 109310960
2-[(4-chlorophenyl)methylamino]-N-(2,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109305976
N-(2,4-dimethylphenyl)-2-[(2-methylphenyl)methylamino]pyrimidine-4-carboxamide
CID 109303959
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311840
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311831
2-(3-methylbutylamino)-N-quinolin-8-ylpyrimidine-4-carboxamide
CID 109311825

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide (CID 109311752) is N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is Cc1ccc(NC(=O)c2ccnc(NCCC(C)C)n2)c(C)c1.
What is the InChIKey of N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
The InChIKey is WVURUDNTTKGLHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)7-9-19-18-20-10-8-16(22-18)17(23)21-15-6-5-13(3)11-14(15)4/h5-6,8,10-12H,7,9H2,1-4H3,(H,21,23)(H,19,20,22).
What are the key properties of N-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide?
N-(2,4-dimethylphenyl)-2-(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-(2,4-dimethylphenyl)-2-(3-methylbutylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109311752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).