5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine

C10H9FN2 — CID 89138369

IUPAC5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine
SMILESFC1=CCCC=C1c1cncnc1
InChIInChI=1S/C10H9FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h3-7H,1-2H2
InChIKeyBUFDXLXPSVUQOF-UHFFFAOYSA-N
MW176.19 g/mol
LogP2.51
Rot. Bonds1

About 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine

5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine (PubChem CID 89138369) has the molecular formula C10H9FN2 and a molecular weight of 176.19 g/mol. Its IUPAC name is 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine
PubChem CID89138369
Molecular FormulaC10H9FN2
Molecular Weight176.19 g/mol
Exact Mass176.07
IUPAC Name5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine
SMILESFC1=CCCC=C1c1cncnc1
InChIInChI=1S/C10H9FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h3-7H,1-2H2
InChIKeyBUFDXLXPSVUQOF-UHFFFAOYSA-N
XLogP2.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.19
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Simpinicline
CID 11528435
5-(Prop-2-en-1-yl)pyrimidine
CID 54178593
7H-pyrimido[4,5-b]azepine
CID 54228713
Cyclohepta[d]pyrimidine
CID 91488165
N5H5EX53UR
CID 10154289
(S,E)-5-(2-(Pyrrolidin-3-yl)vinyl)pyrimidine
CID 11672753
Methyl[4-(pyrimidin-5-yl)but-3-en-1-yl]amine
CID 15860334
5-Ethyl-2-fluoropyrimidine
CID 29949541
5-[(E)-prop-1-enyl]-2-(trifluoromethyl)pyrimidine
CID 67952573
5-Prop-1-enyl-2-(trifluoromethyl)pyrimidine
CID 77437459
2-(4,4-Difluorocyclohexylidene)-2-(2-methylpyrimidin-5-yl)acetonitrile
CID 86716205
2-chloro-5-[(E)-4,4,4-trifluorobut-1-enyl]pyrimidine
CID 89524266

Frequently Asked Questions

What is the IUPAC name of 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine?
The IUPAC name of 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine (CID 89138369) is 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine.
What is the SMILES notation for 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine?
The canonical SMILES for 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine is FC1=CCCC=C1c1cncnc1.
What is the InChIKey of 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine?
The InChIKey is BUFDXLXPSVUQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2/c11-10-4-2-1-3-9(10)8-5-12-7-13-6-8/h3-7H,1-2H2.
What are the key properties of 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine?
5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine has a molecular weight of 176.19 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-fluorocyclohexa-1,5-dien-1-yl)pyrimidine is sourced from PubChem (CID 89138369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).