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

C9H12F2N2 — CID 176649770

IUPAC5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(C(F)CF)cn1
InChIInChI=1S/C9H12F2N2/c1-6(2)9-12-4-7(5-13-9)8(11)3-10/h4-6,8H,3H2,1-2H3
InChIKeyBKYNBZRZJHTYII-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.58
Rot. Bonds3

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

5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine (PubChem CID 176649770) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine.

Molecular Properties

Compound Name5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine
PubChem CID176649770
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine
SMILESCC(C)c1ncc(C(F)CF)cn1
InChIInChI=1S/C9H12F2N2/c1-6(2)9-12-4-7(5-13-9)8(11)3-10/h4-6,8H,3H2,1-2H3
InChIKeyBKYNBZRZJHTYII-UHFFFAOYSA-N
XLogP2.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine?
The IUPAC name of 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine (CID 176649770) is 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine.
What is the SMILES notation for 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine?
The canonical SMILES for 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine is CC(C)c1ncc(C(F)CF)cn1.
What is the InChIKey of 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine?
The InChIKey is BKYNBZRZJHTYII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-6(2)9-12-4-7(5-13-9)8(11)3-10/h4-6,8H,3H2,1-2H3.
What are the key properties of 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine?
5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine has a molecular weight of 186.20 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-difluoroethyl)-2-propan-2-ylpyrimidine is sourced from PubChem (CID 176649770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).