2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

C18H26N4 — CID 112925161

IUPAC2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(C)cc(NCCC(C)C)n2)c1
InChIInChI=1S/C18H26N4/c1-12(2)6-7-19-17-11-15(5)20-18(22-17)21-16-9-13(3)8-14(4)10-16/h8-12H,6-7H2,1-5H3,(H2,19,20,21,22)
InChIKeyXSEBBDCCAMEXMZ-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.60
Rot. Bonds6

About 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine

2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112925161) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112925161
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(C)cc(Nc2nc(C)cc(NCCC(C)C)n2)c1
InChIInChI=1S/C18H26N4/c1-12(2)6-7-19-17-11-15(5)20-18(22-17)21-16-9-13(3)8-14(4)10-16/h8-12H,6-7H2,1-5H3,(H2,19,20,21,22)
InChIKeyXSEBBDCCAMEXMZ-UHFFFAOYSA-N
XLogP4.60
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
6-methyl-4-N-(3-methylbutyl)-2-N-(4-phenoxyphenyl)pyrimidine-2,4-diamine
CID 112925219
2-N-(3-methoxyphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925190
2-N-tert-butyl-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924749
2-N-(2-bromophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925222
6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268
5-N-(3,5-dimethylphenyl)-3-N-(3-methylbutyl)-1,2,4-triazine-3,5-diamine
CID 112959691
2-(3,5-dimethylanilino)-6-methyl-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109333213
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-[(4-methylphenyl)methyl]pyrimidine-2,4-diamine
CID 112916401
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
4-N-[(4-chlorophenyl)methyl]-2-N-(3,5-dimethylphenyl)-6-methylpyrimidine-2,4-diamine
CID 112918009

Frequently Asked Questions

What is the IUPAC name of 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112925161) is 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(C)cc(Nc2nc(C)cc(NCCC(C)C)n2)c1.
What is the InChIKey of 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is XSEBBDCCAMEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-12(2)6-7-19-17-11-15(5)20-18(22-17)21-16-9-13(3)8-14(4)10-16/h8-12H,6-7H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine?
2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3,5-dimethylphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112925161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).