4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine

C12H15N5 — CID 80818088

IUPAC4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCc1ccc(N(C)c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C12H15N5/c1-8-3-5-9(6-4-8)17(2)11-7-10(13)15-12(14)16-11/h3-7H,1-2H3,(H4,13,14,15,16)
InChIKeyGXKKCZOLRATGNU-UHFFFAOYSA-N
MW229.29 g/mol
LogP1.72
Rot. Bonds2

About 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine

4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine (PubChem CID 80818088) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
PubChem CID80818088
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine
SMILESCc1ccc(N(C)c2cc(N)nc(N)n2)cc1
InChIInChI=1S/C12H15N5/c1-8-3-5-9(6-4-8)17(2)11-7-10(13)15-12(14)16-11/h3-7H,1-2H3,(H4,13,14,15,16)
InChIKeyGXKKCZOLRATGNU-UHFFFAOYSA-N
XLogP1.72
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine (CID 80818088) is 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine is Cc1ccc(N(C)c2cc(N)nc(N)n2)cc1.
What is the InChIKey of 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
The InChIKey is GXKKCZOLRATGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-8-3-5-9(6-4-8)17(2)11-7-10(13)15-12(14)16-11/h3-7H,1-2H3,(H4,13,14,15,16).
What are the key properties of 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine?
4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine has a molecular weight of 229.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(4-methylphenyl)pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80818088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).