1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol

C15H23FN2O — CID 57003058

IUPAC1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol
SMILESCC(C)(C)C=CC(O)(c1cncnc1)C(C)(C)CF
InChIInChI=1S/C15H23FN2O/c1-13(2,3)6-7-15(19,14(4,5)10-16)12-8-17-11-18-9-12/h6-9,11,19H,10H2,1-5H3
InChIKeyJOYJHXSWZFIVGT-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.26
Rot. Bonds4

About 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol

1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol (PubChem CID 57003058) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol.

Molecular Properties

Compound Name1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol
PubChem CID57003058
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC Name1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol
SMILESCC(C)(C)C=CC(O)(c1cncnc1)C(C)(C)CF
InChIInChI=1S/C15H23FN2O/c1-13(2,3)6-7-15(19,14(4,5)10-16)12-8-17-11-18-9-12/h6-9,11,19H,10H2,1-5H3
InChIKeyJOYJHXSWZFIVGT-UHFFFAOYSA-N
XLogP3.26
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol?
The IUPAC name of 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol (CID 57003058) is 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol.
What is the SMILES notation for 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol?
The canonical SMILES for 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol is CC(C)(C)C=CC(O)(c1cncnc1)C(C)(C)CF.
What is the InChIKey of 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol?
The InChIKey is JOYJHXSWZFIVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-13(2,3)6-7-15(19,14(4,5)10-16)12-8-17-11-18-9-12/h6-9,11,19H,10H2,1-5H3.
What are the key properties of 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol?
1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol has a molecular weight of 266.36 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,2,6,6-tetramethyl-3-pyrimidin-5-ylhept-4-en-3-ol is sourced from PubChem (CID 57003058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).