4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine

C10H14F2N2O — CID 165072289

IUPAC4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(OCC(C)(F)F)ncn1
InChIInChI=1S/C10H14F2N2O/c1-7(2)8-4-9(14-6-13-8)15-5-10(3,11)12/h4,6-7H,5H2,1-3H3
InChIKeyPVBUPCRMOGNWGL-UHFFFAOYSA-N
MW216.23 g/mol
LogP2.63
Rot. Bonds4

About 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine

4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine (PubChem CID 165072289) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine
PubChem CID165072289
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine
SMILESCC(C)c1cc(OCC(C)(F)F)ncn1
InChIInChI=1S/C10H14F2N2O/c1-7(2)8-4-9(14-6-13-8)15-5-10(3,11)12/h4,6-7H,5H2,1-3H3
InChIKeyPVBUPCRMOGNWGL-UHFFFAOYSA-N
XLogP2.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine (CID 165072289) is 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine is CC(C)c1cc(OCC(C)(F)F)ncn1.
What is the InChIKey of 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine?
The InChIKey is PVBUPCRMOGNWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-7(2)8-4-9(14-6-13-8)15-5-10(3,11)12/h4,6-7H,5H2,1-3H3.
What are the key properties of 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine?
4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine has a molecular weight of 216.23 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoropropoxy)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 165072289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).