2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine

C11H14F2N2O — CID 170234899

IUPAC2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine
SMILESCc1cnc(C2CC2)nc1OCC(C)(F)F
InChIInChI=1S/C11H14F2N2O/c1-7-5-14-9(8-3-4-8)15-10(7)16-6-11(2,12)13/h5,8H,3-4,6H2,1-2H3
InChIKeyLAOCKSQWBXBWJZ-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.70
Rot. Bonds4

About 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine

2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine (PubChem CID 170234899) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine
PubChem CID170234899
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine
SMILESCc1cnc(C2CC2)nc1OCC(C)(F)F
InChIInChI=1S/C11H14F2N2O/c1-7-5-14-9(8-3-4-8)15-10(7)16-6-11(2,12)13/h5,8H,3-4,6H2,1-2H3
InChIKeyLAOCKSQWBXBWJZ-UHFFFAOYSA-N
XLogP2.70
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine 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-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine?
The IUPAC name of 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine (CID 170234899) is 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine?
The canonical SMILES for 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine is Cc1cnc(C2CC2)nc1OCC(C)(F)F.
What is the InChIKey of 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine?
The InChIKey is LAOCKSQWBXBWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-7-5-14-9(8-3-4-8)15-10(7)16-6-11(2,12)13/h5,8H,3-4,6H2,1-2H3.
What are the key properties of 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine?
2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine has a molecular weight of 228.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-difluoropropoxy)-5-methylpyrimidine is sourced from PubChem (CID 170234899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).