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

C18H24N4O — CID 112846602

IUPAC2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCCC(C)C)nc(C)n2)c1
InChIInChI=1S/C18H24N4O/c1-12(2)8-9-19-18(23)16-11-17(21-14(4)20-16)22-15-7-5-6-13(3)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyJXUHRIGSXQAUOA-UHFFFAOYSA-N
MW312.42 g/mol
LogP3.61
Rot. Bonds6

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

2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (PubChem CID 112846602) has the molecular formula C18H24N4O and a molecular weight of 312.42 g/mol. Its IUPAC name is 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
PubChem CID112846602
Molecular FormulaC18H24N4O
Molecular Weight312.42 g/mol
Exact Mass312.20
IUPAC Name2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
SMILESCc1cccc(Nc2cc(C(=O)NCCC(C)C)nc(C)n2)c1
InChIInChI=1S/C18H24N4O/c1-12(2)8-9-19-18(23)16-11-17(21-14(4)20-16)22-15-7-5-6-13(3)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,19,23)(H,20,21,22)
InChIKeyJXUHRIGSXQAUOA-UHFFFAOYSA-N
XLogP3.61
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 ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromoanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846670
6-(2,6-difluoroanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846697
6-(4-acetylanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846653
6-methyl-2-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333205
2-methyl-6-(3-methylanilino)-N-[(4-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109369063
6-(3-chloro-4-methoxyanilino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 112846634
N-[(4-chlorophenyl)methyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109370162
2-methyl-6-(3-methylanilino)pyrimidine-4-carboxylic acid
CID 82293662
N-[2-(1H-indol-3-yl)ethyl]-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109372716
N-cyclohexyl-2-methyl-6-(3-methylanilino)pyrimidine-4-carboxamide
CID 109364005
6-(3-cyanoanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360365
6-(2-methoxyethylamino)-2-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109364686

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide (CID 112846602) is 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is Cc1cccc(Nc2cc(C(=O)NCCC(C)C)nc(C)n2)c1.
What is the InChIKey of 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
The InChIKey is JXUHRIGSXQAUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O/c1-12(2)8-9-19-18(23)16-11-17(21-14(4)20-16)22-15-7-5-6-13(3)10-15/h5-7,10-12H,8-9H2,1-4H3,(H,19,23)(H,20,21,22).
What are the key properties of 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide?
2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide has a molecular weight of 312.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-methylanilino)-N-(3-methylbutyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 112846602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).