2,3,5-trimethyl-4H-pyrimidine

C7H12N2 — CID 90695249

IUPAC2,3,5-trimethyl-4H-pyrimidine
SMILESCC1=CN=C(C)N(C)C1
InChIInChI=1S/C7H12N2/c1-6-4-8-7(2)9(3)5-6/h4H,5H2,1-3H3
InChIKeySVDXCNDBIWUGOK-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.25
Rot. Bonds

About 2,3,5-trimethyl-4H-pyrimidine

2,3,5-trimethyl-4H-pyrimidine (PubChem CID 90695249) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 2,3,5-trimethyl-4H-pyrimidine.

Molecular Properties

Compound Name2,3,5-trimethyl-4H-pyrimidine
PubChem CID90695249
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name2,3,5-trimethyl-4H-pyrimidine
SMILESCC1=CN=C(C)N(C)C1
InChIInChI=1S/C7H12N2/c1-6-4-8-7(2)9(3)5-6/h4H,5H2,1-3H3
InChIKeySVDXCNDBIWUGOK-UHFFFAOYSA-N
XLogP1.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,5-trimethyl-4H-pyrimidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3,5-trimethyl-4H-pyrimidine?
The IUPAC name of 2,3,5-trimethyl-4H-pyrimidine (CID 90695249) is 2,3,5-trimethyl-4H-pyrimidine.
What is the SMILES notation for 2,3,5-trimethyl-4H-pyrimidine?
The canonical SMILES for 2,3,5-trimethyl-4H-pyrimidine is CC1=CN=C(C)N(C)C1.
What is the InChIKey of 2,3,5-trimethyl-4H-pyrimidine?
The InChIKey is SVDXCNDBIWUGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-6-4-8-7(2)9(3)5-6/h4H,5H2,1-3H3.
What are the key properties of 2,3,5-trimethyl-4H-pyrimidine?
2,3,5-trimethyl-4H-pyrimidine has a molecular weight of 124.19 g/mol, XLogP of 1.25, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5-trimethyl-4H-pyrimidine is sourced from PubChem (CID 90695249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).