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

C18H26N4 — CID 112925276

IUPAC4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(C)cccc2C)nc(NCCC(C)C)n1
InChIInChI=1S/C18H26N4/c1-12(2)9-10-19-18-20-15(5)11-16(22-18)21-17-13(3)7-6-8-14(17)4/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22)
InChIKeyMFZYEGYLAUPENH-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.60
Rot. Bonds6

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

4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (PubChem CID 112925276) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
PubChem CID112925276
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
SMILESCc1cc(Nc2c(C)cccc2C)nc(NCCC(C)C)n1
InChIInChI=1S/C18H26N4/c1-12(2)9-10-19-18-20-15(5)11-16(22-18)21-17-13(3)7-6-8-14(17)4/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22)
InChIKeyMFZYEGYLAUPENH-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-2-N-(3-methylbutyl)-4-N-(2-methyl-6-propan-2-ylphenyl)pyrimidine-2,4-diamine
CID 112925285
6-methyl-2-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-2,4-diamine
CID 112925266
6-methyl-2-N-(3-methylbutyl)-4-N-(4-methylphenyl)pyrimidine-2,4-diamine
CID 112925268
6-methyl-2-N-(3-methylbutyl)-4-N-quinolin-8-ylpyrimidine-2,4-diamine
CID 112925343
4-N-benzyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112915511
4-N-tert-butyl-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112924628
4-N-(3,4-dimethoxyphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925313
6-methyl-2-N-(3-methylbutyl)-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919132
4-N-(2,6-dichlorophenyl)-6-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80846976
2-N-(3-methoxyphenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925190
6-methyl-4-N-(3-methylbutyl)-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 112907298
2-N-(2-fluorophenyl)-6-methyl-4-N-(3-methylbutyl)pyrimidine-2,4-diamine
CID 112925174

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine (CID 112925276) is 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is Cc1cc(Nc2c(C)cccc2C)nc(NCCC(C)C)n1.
What is the InChIKey of 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
The InChIKey is MFZYEGYLAUPENH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-12(2)9-10-19-18-20-15(5)11-16(22-18)21-17-13(3)7-6-8-14(17)4/h6-8,11-12H,9-10H2,1-5H3,(H2,19,20,21,22).
What are the key properties of 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine?
4-N-(2,6-dimethylphenyl)-6-methyl-2-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 4-N-(2,6-dimethylphenyl)-6-methyl-2-N-(3-methylbutyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 112925276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).