2-(cyclopenten-1-yl)-4-fluoropyrimidine

C9H9FN2 — CID 171396588

IUPAC2-(cyclopenten-1-yl)-4-fluoropyrimidine
SMILESFc1ccnc(C2=CCCC2)n1
InChIInChI=1S/C9H9FN2/c10-8-5-6-11-9(12-8)7-3-1-2-4-7/h3,5-6H,1-2,4H2
InChIKeyQVMUBNJCCJQGSI-UHFFFAOYSA-N
MW164.18 g/mol
LogP2.18
Rot. Bonds1

About 2-(cyclopenten-1-yl)-4-fluoropyrimidine

2-(cyclopenten-1-yl)-4-fluoropyrimidine (PubChem CID 171396588) has the molecular formula C9H9FN2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 2-(cyclopenten-1-yl)-4-fluoropyrimidine.

Molecular Properties

Compound Name2-(cyclopenten-1-yl)-4-fluoropyrimidine
PubChem CID171396588
Molecular FormulaC9H9FN2
Molecular Weight164.18 g/mol
Exact Mass164.07
IUPAC Name2-(cyclopenten-1-yl)-4-fluoropyrimidine
SMILESFc1ccnc(C2=CCCC2)n1
InChIInChI=1S/C9H9FN2/c10-8-5-6-11-9(12-8)7-3-1-2-4-7/h3,5-6H,1-2,4H2
InChIKeyQVMUBNJCCJQGSI-UHFFFAOYSA-N
XLogP2.18
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-Fluorocyclopenten-1-yl)pyrimidine
CID 90925348
2-[(E)-oct-1-enyl]pyrimidine
CID 11446827
2-Butylpyrimidine
CID 12343989
Cyclobutyl pyrimidine
CID 18329571
Allylpyrimidine
CID 20526273
Cyclopentyl pyrimidine
CID 53995640
2-(2-Fluoropropan-2-yl)pyrimidine
CID 54511926
2-(3,3,4,4,5,5-Hexafluorocyclopenten-1-yl)pyrimidine;iridium
CID 59005824
2-(4-Fluorobutyl)pyrimidin-4-amine
CID 69129882
2-(3,4-Difluorobut-1-enyl)pyrimidine
CID 69542200
2-(4,4-Difluorobut-1-enyl)pyrimidine
CID 69542201
2-(1,2-Difluorobut-1-enyl)pyrimidine
CID 69542203

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopenten-1-yl)-4-fluoropyrimidine?
The IUPAC name of 2-(cyclopenten-1-yl)-4-fluoropyrimidine (CID 171396588) is 2-(cyclopenten-1-yl)-4-fluoropyrimidine.
What is the SMILES notation for 2-(cyclopenten-1-yl)-4-fluoropyrimidine?
The canonical SMILES for 2-(cyclopenten-1-yl)-4-fluoropyrimidine is Fc1ccnc(C2=CCCC2)n1.
What is the InChIKey of 2-(cyclopenten-1-yl)-4-fluoropyrimidine?
The InChIKey is QVMUBNJCCJQGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2/c10-8-5-6-11-9(12-8)7-3-1-2-4-7/h3,5-6H,1-2,4H2.
What are the key properties of 2-(cyclopenten-1-yl)-4-fluoropyrimidine?
2-(cyclopenten-1-yl)-4-fluoropyrimidine has a molecular weight of 164.18 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopenten-1-yl)-4-fluoropyrimidine is sourced from PubChem (CID 171396588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).