5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine

C14H13FN2O — CID 71276291

IUPAC5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1nc(OCc2ccccc2)ncc1F
InChIInChI=1S/C14H13FN2O/c1-2-6-13-12(15)9-16-14(17-13)18-10-11-7-4-3-5-8-11/h2-9H,10H2,1H3/b6-2+
InChIKeyOTKTZJFXGYTPKL-QHHAFSJGSA-N
MW244.27 g/mol
LogP3.23
Rot. Bonds4

About 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine

5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine (PubChem CID 71276291) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine
PubChem CID71276291
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC Name5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine
SMILESC/C=C/c1nc(OCc2ccccc2)ncc1F
InChIInChI=1S/C14H13FN2O/c1-2-6-13-12(15)9-16-14(17-13)18-10-11-7-4-3-5-8-11/h2-9H,10H2,1H3/b6-2+
InChIKeyOTKTZJFXGYTPKL-QHHAFSJGSA-N
XLogP3.23
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-[[3-(Butoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999841
5-[[3-(Methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 14999843
US9205085, Msx-208
CID 58757234
2-(Benzyloxy)-5-bromopyrimidine
CID 42553055
5-[[2-(Methoxymethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 10705453
2-(Phenylmethoxy)-4-pyrimidinamine
CID 308510
2-Chloro-4-benzyloxy-5-fluoropyrimidine
CID 12864088
2-[(4-Fluorophenyl)methoxy]pyrimidin-4-amine
CID 123194935
1'-[(2-fluorophenyl)methyl]-N,N-dimethylspiro[5,7-dihydropyrano[4,3-d]pyrimidine-8,3'-pyrrolidine]-2-amine
CID 118743615
2-(Pyridin-3-ylmethoxy)-4-(trifluoromethyl)pyrimidine
CID 172433428
5-(4-Methoxyphenyl)-4-methylpyrimidine
CID 54246644
4-[1-[(2R)-2-(2,4-difluorophenyl)oxiran-2-yl]ethenyl]-5-fluoropyrimidine
CID 72736661

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine?
The IUPAC name of 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine (CID 71276291) is 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine.
What is the SMILES notation for 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine?
The canonical SMILES for 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine is C/C=C/c1nc(OCc2ccccc2)ncc1F.
What is the InChIKey of 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine?
The InChIKey is OTKTZJFXGYTPKL-QHHAFSJGSA-N. The full InChI is InChI=1S/C14H13FN2O/c1-2-6-13-12(15)9-16-14(17-13)18-10-11-7-4-3-5-8-11/h2-9H,10H2,1H3/b6-2+.
What are the key properties of 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine?
5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine has a molecular weight of 244.27 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-phenylmethoxy-4-[(E)-prop-1-enyl]pyrimidine is sourced from PubChem (CID 71276291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).