4,5-difluoro-6-propan-2-ylpyrimidine

C7H8F2N2 — CID 54353549

IUPAC4,5-difluoro-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(F)c1F
InChIInChI=1S/C7H8F2N2/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3
InChIKeyOURLECXUCURFBK-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.88
Rot. Bonds1

About 4,5-difluoro-6-propan-2-ylpyrimidine

4,5-difluoro-6-propan-2-ylpyrimidine (PubChem CID 54353549) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 4,5-difluoro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4,5-difluoro-6-propan-2-ylpyrimidine
PubChem CID54353549
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name4,5-difluoro-6-propan-2-ylpyrimidine
SMILESCC(C)c1ncnc(F)c1F
InChIInChI=1S/C7H8F2N2/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3
InChIKeyOURLECXUCURFBK-UHFFFAOYSA-N
XLogP1.88
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-6-propan-2-ylpyrimidine?
The IUPAC name of 4,5-difluoro-6-propan-2-ylpyrimidine (CID 54353549) is 4,5-difluoro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4,5-difluoro-6-propan-2-ylpyrimidine?
The canonical SMILES for 4,5-difluoro-6-propan-2-ylpyrimidine is CC(C)c1ncnc(F)c1F.
What is the InChIKey of 4,5-difluoro-6-propan-2-ylpyrimidine?
The InChIKey is OURLECXUCURFBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c1-4(2)6-5(8)7(9)11-3-10-6/h3-4H,1-2H3.
What are the key properties of 4,5-difluoro-6-propan-2-ylpyrimidine?
4,5-difluoro-6-propan-2-ylpyrimidine has a molecular weight of 158.15 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-6-propan-2-ylpyrimidine is sourced from PubChem (CID 54353549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).