4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine

C9H11FN2 — CID 123730007

IUPAC4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine
SMILESC=Cc1ncnc(C(C)C)c1F
InChIInChI=1S/C9H11FN2/c1-4-7-8(10)9(6(2)3)12-5-11-7/h4-6H,1H2,2-3H3
InChIKeyBMKNJUQWDXOUOA-UHFFFAOYSA-N
MW166.20 g/mol
LogP2.38
Rot. Bonds2

About 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine

4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine (PubChem CID 123730007) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine
PubChem CID123730007
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine
SMILESC=Cc1ncnc(C(C)C)c1F
InChIInChI=1S/C9H11FN2/c1-4-7-8(10)9(6(2)3)12-5-11-7/h4-6H,1H2,2-3H3
InChIKeyBMKNJUQWDXOUOA-UHFFFAOYSA-N
XLogP2.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4,6-Divinylpyrimidine
CID 19349509
4,5-Difluoro-6-prop-2-enylpyrimidine
CID 54139664
4,5-Difluoro-6-propan-2-ylpyrimidine
CID 54353549
4-Ethyl-5,6-difluoropyrimidine
CID 57023739
4-Tert-butyl-6-(trifluoromethyl)pyrimidine
CID 57803273
5-Fluoro-4-propan-2-ylpyrimidine
CID 58033169
4-Tert-butyl-6-(1,1-difluoroethyl)pyrimidine
CID 58305855
2-Chloro-5-fluoro-4-isopropyl-pyrimidine
CID 58333410
4-Tert-butyl-6-fluoropyrimidine
CID 58945662
4-Tert-butyl-6-methyl-5-(trifluoromethyl)pyrimidine
CID 66615490
5-[(4-Fluorophenyl)methyl]-4,6-dimethylpyrimidine
CID 67714731
5-Fluoro-4,6-di(propan-2-yl)pyrimidine
CID 68036228

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine?
The IUPAC name of 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine (CID 123730007) is 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine is C=Cc1ncnc(C(C)C)c1F.
What is the InChIKey of 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine?
The InChIKey is BMKNJUQWDXOUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN2/c1-4-7-8(10)9(6(2)3)12-5-11-7/h4-6H,1H2,2-3H3.
What are the key properties of 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine?
4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine has a molecular weight of 166.20 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-5-fluoro-6-propan-2-ylpyrimidine is sourced from PubChem (CID 123730007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).