4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine

C18H26N4 — CID 143453199

IUPAC4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)(C)Nc1ncc(C)c(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C18H26N4/c1-7-18(5,6)22-17-19-11-14(4)16(21-17)20-15-9-12(2)8-13(3)10-15/h8-11H,7H2,1-6H3,(H2,19,20,21,22)
InChIKeySYEHZNMIPNBOLA-UHFFFAOYSA-N
MW298.43 g/mol
LogP4.75
Rot. Bonds5

About 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine

4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine (PubChem CID 143453199) has the molecular formula C18H26N4 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
PubChem CID143453199
Molecular FormulaC18H26N4
Molecular Weight298.43 g/mol
Exact Mass298.22
IUPAC Name4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine
SMILESCCC(C)(C)Nc1ncc(C)c(Nc2cc(C)cc(C)c2)n1
InChIInChI=1S/C18H26N4/c1-7-18(5,6)22-17-19-11-14(4)16(21-17)20-15-9-12(2)8-13(3)10-15/h8-11H,7H2,1-6H3,(H2,19,20,21,22)
InChIKeySYEHZNMIPNBOLA-UHFFFAOYSA-N
XLogP4.75
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine (CID 143453199) is 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine is CCC(C)(C)Nc1ncc(C)c(Nc2cc(C)cc(C)c2)n1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
The InChIKey is SYEHZNMIPNBOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4/c1-7-18(5,6)22-17-19-11-14(4)16(21-17)20-15-9-12(2)8-13(3)10-15/h8-11H,7H2,1-6H3,(H2,19,20,21,22).
What are the key properties of 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine?
4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine has a molecular weight of 298.43 g/mol, XLogP of 4.75, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-5-methyl-2-N-(2-methylbutan-2-yl)pyrimidine-2,4-diamine is sourced from PubChem (CID 143453199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).