4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane

C15H22N4 — CID 91476448

IUPAC4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CNc1nc(Nc2cccc(C)c2)ncc1C
InChIInChI=1S/C13H16N4.C2H6/c1-9-5-4-6-11(7-9)16-13-15-8-10(2)12(14-3)17-13;1-2/h4-8H,1-3H3,(H2,14,15,16,17);1-2H3
InChIKeyOQMAXQAMUMRRKY-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.90
Rot. Bonds3

About 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane

4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane (PubChem CID 91476448) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane.

Molecular Properties

Compound Name4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
PubChem CID91476448
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane
SMILESCC.CNc1nc(Nc2cccc(C)c2)ncc1C
InChIInChI=1S/C13H16N4.C2H6/c1-9-5-4-6-11(7-9)16-13-15-8-10(2)12(14-3)17-13;1-2/h4-8H,1-3H3,(H2,14,15,16,17);1-2H3
InChIKeyOQMAXQAMUMRRKY-UHFFFAOYSA-N
XLogP3.90
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
The IUPAC name of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane (CID 91476448) is 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane.
What is the SMILES notation for 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
The canonical SMILES for 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane is CC.CNc1nc(Nc2cccc(C)c2)ncc1C.
What is the InChIKey of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
The InChIKey is OQMAXQAMUMRRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.C2H6/c1-9-5-4-6-11(7-9)16-13-15-8-10(2)12(14-3)17-13;1-2/h4-8H,1-3H3,(H2,14,15,16,17);1-2H3.
What are the key properties of 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane?
4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane has a molecular weight of 258.37 g/mol, XLogP of 3.90, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,5-dimethyl-2-N-(3-methylphenyl)pyrimidine-2,4-diamine;ethane is sourced from PubChem (CID 91476448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).