4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine

C13H17N5 — CID 80849672

IUPAC4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCc1ccccc1CCNc1cc(N)nc(N)n1
InChIInChI=1S/C13H17N5/c1-9-4-2-3-5-10(9)6-7-16-12-8-11(14)17-13(15)18-12/h2-5,8H,6-7H2,1H3,(H5,14,15,16,17,18)
InChIKeyGQESNEGCEALJQB-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.60
Rot. Bonds4

About 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine

4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine (PubChem CID 80849672) has the molecular formula C13H17N5 and a molecular weight of 243.31 g/mol. Its IUPAC name is 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
PubChem CID80849672
Molecular FormulaC13H17N5
Molecular Weight243.31 g/mol
Exact Mass243.15
IUPAC Name4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine
SMILESCc1ccccc1CCNc1cc(N)nc(N)n1
InChIInChI=1S/C13H17N5/c1-9-4-2-3-5-10(9)6-7-16-12-8-11(14)17-13(15)18-12/h2-5,8H,6-7H2,1H3,(H5,14,15,16,17,18)
InChIKeyGQESNEGCEALJQB-UHFFFAOYSA-N
XLogP1.60
TPSA89.85 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4-diamine
CID 80850064
6-chloro-2-N-[2-(2-methylphenyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80849210
4-N-[2-(2-methylphenyl)ethyl]benzene-1,4-diamine
CID 79763749
6-N-ethyl-4-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-2,4,6-triamine
CID 106262726
4-N-(2-pyridin-3-ylethyl)pyrimidine-2,4,6-triamine
CID 80791747
4,5-dimethyl-2-N-[2-(2-methylphenyl)ethyl]benzene-1,2-diamine
CID 115126820
5-methyl-N-[2-(2-methylphenyl)ethyl]pyridazin-3-amine
CID 106549855
6-chloro-N-[2-(2-methylphenyl)ethyl]-4-(trifluoromethyl)pyridin-2-amine
CID 102716041
6-N-ethyl-4-N-methyl-4-N-[(2-methylphenyl)methyl]pyrimidine-2,4,6-triamine
CID 80794370
6-chloro-4-N-[2-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 31537803
4-N-[2-(4-fluoro-2-methylphenyl)ethyl]-2-methylpyrimidine-4,6-diamine
CID 80852017
4-N-(2-methoxyethyl)pyrimidine-2,4,6-triamine
CID 80766455

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine (CID 80849672) is 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine is Cc1ccccc1CCNc1cc(N)nc(N)n1.
What is the InChIKey of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
The InChIKey is GQESNEGCEALJQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5/c1-9-4-2-3-5-10(9)6-7-16-12-8-11(14)17-13(15)18-12/h2-5,8H,6-7H2,1H3,(H5,14,15,16,17,18).
What are the key properties of 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine?
4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine has a molecular weight of 243.31 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methylphenyl)ethyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 80849672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).