5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine

C11H13FN2 — CID 91144297

IUPAC5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine
SMILESC=C1CCC(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H13FN2/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h6-7,9H,1-5H2
InChIKeyRPKSBZAOKOIXIF-UHFFFAOYSA-N
MW192.24 g/mol
LogP2.83
Rot. Bonds1

About 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine

5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine (PubChem CID 91144297) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine
PubChem CID91144297
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC Name5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine
SMILESC=C1CCC(c2ncc(F)cn2)CC1
InChIInChI=1S/C11H13FN2/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h6-7,9H,1-5H2
InChIKeyRPKSBZAOKOIXIF-UHFFFAOYSA-N
XLogP2.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluorocyclopentenyl-pyrimidine
CID 171396588
5-Heptyl-2-methylpyrimidine
CID 13660600
Pyrimidinylcyclohexane
CID 17937609
2-[(E)-2-cyclohexylvinyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 74248962
3-cyclopentyl-N-[(2-ethylpyrimidin-5-yl)methyl]-N-methylpropan-1-amine
CID 129613098
(Cyclopentylmethyl)[(2-isopropylpyrimidin-5-yl)methyl]methylamine
CID 131927079
N,4-dimethyl-N-[(2-methylpyrimidin-5-yl)methyl]cyclohexan-1-amine
CID 137957804
2-[4-(2-Fluoroethyl)cyclohexyl]-5-methylpyrimidine
CID 18344182
2-[4-(2-Fluoroethyl)cyclohexyl]-5-pentylpyrimidine
CID 18344186
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-methylpyrimidine
CID 18344198
2-[4-[4-(2-Fluoroethyl)cyclohexyl]cyclohexyl]-5-propylpyrimidine
CID 18344201
5-(4-Butylcyclohexyl)pyrimidine-2-carbonitrile
CID 19380532

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine?
The IUPAC name of 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine (CID 91144297) is 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine?
The canonical SMILES for 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine is C=C1CCC(c2ncc(F)cn2)CC1.
What is the InChIKey of 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine?
The InChIKey is RPKSBZAOKOIXIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-8-2-4-9(5-3-8)11-13-6-10(12)7-14-11/h6-7,9H,1-5H2.
What are the key properties of 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine?
5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine has a molecular weight of 192.24 g/mol, XLogP of 2.83, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(4-methylidenecyclohexyl)pyrimidine is sourced from PubChem (CID 91144297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).