2-(3-fluoroazepan-1-yl)pyrimidin-5-ol

C10H14FN3O — CID 167553522

IUPAC2-(3-fluoroazepan-1-yl)pyrimidin-5-ol
SMILESOc1cnc(N2CCCCC(F)C2)nc1
InChIInChI=1S/C10H14FN3O/c11-8-3-1-2-4-14(7-8)10-12-5-9(15)6-13-10/h5-6,8,15H,1-4,7H2
InChIKeyCSDXAQPFDAMHQI-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.51
Rot. Bonds1

About 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol

2-(3-fluoroazepan-1-yl)pyrimidin-5-ol (PubChem CID 167553522) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol.

Molecular Properties

Compound Name2-(3-fluoroazepan-1-yl)pyrimidin-5-ol
PubChem CID167553522
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name2-(3-fluoroazepan-1-yl)pyrimidin-5-ol
SMILESOc1cnc(N2CCCCC(F)C2)nc1
InChIInChI=1S/C10H14FN3O/c11-8-3-1-2-4-14(7-8)10-12-5-9(15)6-13-10/h5-6,8,15H,1-4,7H2
InChIKeyCSDXAQPFDAMHQI-UHFFFAOYSA-N
XLogP1.51
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol?
The IUPAC name of 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol (CID 167553522) is 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol.
What is the SMILES notation for 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol?
The canonical SMILES for 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol is Oc1cnc(N2CCCCC(F)C2)nc1.
What is the InChIKey of 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol?
The InChIKey is CSDXAQPFDAMHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-8-3-1-2-4-14(7-8)10-12-5-9(15)6-13-10/h5-6,8,15H,1-4,7H2.
What are the key properties of 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol?
2-(3-fluoroazepan-1-yl)pyrimidin-5-ol has a molecular weight of 211.24 g/mol, XLogP of 1.51, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluoroazepan-1-yl)pyrimidin-5-ol is sourced from PubChem (CID 167553522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).