2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine

C9H12F2N2 — CID 122532892

IUPAC2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(C(C)(F)F)nc1
InChIInChI=1S/C9H12F2N2/c1-6(2)7-4-12-8(13-5-7)9(3,10)11/h4-6H,1-3H3
InChIKeyKCDRVRUVSGRRTF-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.71
Rot. Bonds2

About 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine

2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine (PubChem CID 122532892) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine
PubChem CID122532892
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine
SMILESCC(C)c1cnc(C(C)(F)F)nc1
InChIInChI=1S/C9H12F2N2/c1-6(2)7-4-12-8(13-5-7)9(3,10)11/h4-6H,1-3H3
InChIKeyKCDRVRUVSGRRTF-UHFFFAOYSA-N
XLogP2.71
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine 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-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine?
The IUPAC name of 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine (CID 122532892) is 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine is CC(C)c1cnc(C(C)(F)F)nc1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine?
The InChIKey is KCDRVRUVSGRRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-6(2)7-4-12-8(13-5-7)9(3,10)11/h4-6H,1-3H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine?
2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine has a molecular weight of 186.20 g/mol, XLogP of 2.71, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 122532892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).