2,3,4,5,6-pentamethyl-4H-pyrimidine

C9H16N2 — CID 70522581

IUPAC2,3,4,5,6-pentamethyl-4H-pyrimidine
SMILESCC1=NC(C)=C(C)C(C)N1C
InChIInChI=1S/C9H16N2/c1-6-7(2)10-9(4)11(5)8(6)3/h8H,1-5H3
InChIKeyJZQYPHZUFVJTJB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.03
Rot. Bonds

About 2,3,4,5,6-pentamethyl-4H-pyrimidine

2,3,4,5,6-pentamethyl-4H-pyrimidine (PubChem CID 70522581) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2,3,4,5,6-pentamethyl-4H-pyrimidine.

Molecular Properties

Compound Name2,3,4,5,6-pentamethyl-4H-pyrimidine
PubChem CID70522581
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2,3,4,5,6-pentamethyl-4H-pyrimidine
SMILESCC1=NC(C)=C(C)C(C)N1C
InChIInChI=1S/C9H16N2/c1-6-7(2)10-9(4)11(5)8(6)3/h8H,1-5H3
InChIKeyJZQYPHZUFVJTJB-UHFFFAOYSA-N
XLogP2.03
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,3,4,5,6-pentamethyl-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 2,3,4,5,6-pentamethyl-4H-pyrimidine?
The IUPAC name of 2,3,4,5,6-pentamethyl-4H-pyrimidine (CID 70522581) is 2,3,4,5,6-pentamethyl-4H-pyrimidine.
What is the SMILES notation for 2,3,4,5,6-pentamethyl-4H-pyrimidine?
The canonical SMILES for 2,3,4,5,6-pentamethyl-4H-pyrimidine is CC1=NC(C)=C(C)C(C)N1C.
What is the InChIKey of 2,3,4,5,6-pentamethyl-4H-pyrimidine?
The InChIKey is JZQYPHZUFVJTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-7(2)10-9(4)11(5)8(6)3/h8H,1-5H3.
What are the key properties of 2,3,4,5,6-pentamethyl-4H-pyrimidine?
2,3,4,5,6-pentamethyl-4H-pyrimidine has a molecular weight of 152.24 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,6-pentamethyl-4H-pyrimidine is sourced from PubChem (CID 70522581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).