2,4-dimethyl-6-propan-2-yloxypyrimidine

C9H14N2O — CID 118462741

IUPAC2,4-dimethyl-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(C)n1
InChIInChI=1S/C9H14N2O/c1-6(2)12-9-5-7(3)10-8(4)11-9/h5-6H,1-4H3
InChIKeyHGDLQJSNEPPYGP-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.88
Rot. Bonds2

About 2,4-dimethyl-6-propan-2-yloxypyrimidine

2,4-dimethyl-6-propan-2-yloxypyrimidine (PubChem CID 118462741) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 2,4-dimethyl-6-propan-2-yloxypyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-propan-2-yloxypyrimidine
PubChem CID118462741
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name2,4-dimethyl-6-propan-2-yloxypyrimidine
SMILESCc1cc(OC(C)C)nc(C)n1
InChIInChI=1S/C9H14N2O/c1-6(2)12-9-5-7(3)10-8(4)11-9/h5-6H,1-4H3
InChIKeyHGDLQJSNEPPYGP-UHFFFAOYSA-N
XLogP1.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2,4-dimethyl-6-propan-2-yloxypyrimidine 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 2,4-dimethyl-6-propan-2-yloxypyrimidine?
The IUPAC name of 2,4-dimethyl-6-propan-2-yloxypyrimidine (CID 118462741) is 2,4-dimethyl-6-propan-2-yloxypyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-propan-2-yloxypyrimidine?
The canonical SMILES for 2,4-dimethyl-6-propan-2-yloxypyrimidine is Cc1cc(OC(C)C)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-propan-2-yloxypyrimidine?
The InChIKey is HGDLQJSNEPPYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-6(2)12-9-5-7(3)10-8(4)11-9/h5-6H,1-4H3.
What are the key properties of 2,4-dimethyl-6-propan-2-yloxypyrimidine?
2,4-dimethyl-6-propan-2-yloxypyrimidine has a molecular weight of 166.22 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-propan-2-yloxypyrimidine is sourced from PubChem (CID 118462741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).