2-methyl-4,5-di(propan-2-yl)pyrimidine

C11H18N2 — CID 59058770

IUPAC2-methyl-4,5-di(propan-2-yl)pyrimidine
SMILESCc1ncc(C(C)C)c(C(C)C)n1
InChIInChI=1S/C11H18N2/c1-7(2)10-6-12-9(5)13-11(10)8(3)4/h6-8H,1-5H3
InChIKeyKVRWARYODYDEKO-UHFFFAOYSA-N
MW178.28 g/mol
LogP3.03
Rot. Bonds2

About 2-methyl-4,5-di(propan-2-yl)pyrimidine

2-methyl-4,5-di(propan-2-yl)pyrimidine (PubChem CID 59058770) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is 2-methyl-4,5-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-methyl-4,5-di(propan-2-yl)pyrimidine
PubChem CID59058770
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name2-methyl-4,5-di(propan-2-yl)pyrimidine
SMILESCc1ncc(C(C)C)c(C(C)C)n1
InChIInChI=1S/C11H18N2/c1-7(2)10-6-12-9(5)13-11(10)8(3)4/h6-8H,1-5H3
InChIKeyKVRWARYODYDEKO-UHFFFAOYSA-N
XLogP3.03
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-methyl-4,5-di(propan-2-yl)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-methyl-4,5-di(propan-2-yl)pyrimidine?
The IUPAC name of 2-methyl-4,5-di(propan-2-yl)pyrimidine (CID 59058770) is 2-methyl-4,5-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2-methyl-4,5-di(propan-2-yl)pyrimidine?
The canonical SMILES for 2-methyl-4,5-di(propan-2-yl)pyrimidine is Cc1ncc(C(C)C)c(C(C)C)n1.
What is the InChIKey of 2-methyl-4,5-di(propan-2-yl)pyrimidine?
The InChIKey is KVRWARYODYDEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2/c1-7(2)10-6-12-9(5)13-11(10)8(3)4/h6-8H,1-5H3.
What are the key properties of 2-methyl-4,5-di(propan-2-yl)pyrimidine?
2-methyl-4,5-di(propan-2-yl)pyrimidine has a molecular weight of 178.28 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 59058770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).