4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine

C13H17N5 — CID 80817425

IUPAC4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCc1cc(C)cc(N(C)c2cc(N)nc(N)n2)c1
InChIInChI=1S/C13H17N5/c1-8-4-9(2)6-10(5-8)18(3)12-7-11(14)16-13(15)17-12/h4-7H,1-3H3,(H4,14,15,16,17)
InChIKeyZRGBYMHDFZJIFS-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.03
Rot. Bonds2

About 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine

4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine (PubChem CID 80817425) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine
PubChem CID80817425
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine
SMILESCc1cc(C)cc(N(C)c2cc(N)nc(N)n2)c1
InChIInChI=1S/C13H17N5/c1-8-4-9(2)6-10(5-8)18(3)12-7-11(14)16-13(15)17-12/h4-7H,1-3H3,(H4,14,15,16,17)
InChIKeyZRGBYMHDFZJIFS-UHFFFAOYSA-N
XLogP2.03
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine (CID 80817425) is 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine is Cc1cc(C)cc(N(C)c2cc(N)nc(N)n2)c1.
What is the InChIKey of 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine?
The InChIKey is ZRGBYMHDFZJIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-8-4-9(2)6-10(5-8)18(3)12-7-11(14)16-13(15)17-12/h4-7H,1-3H3,(H4,14,15,16,17).
What are the key properties of 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine?
4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3,5-dimethylphenyl)-4-N-methylpyrimidine-2,4,6-triamine is sourced from PubChem (CID 80817425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).