4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine

C10H14FN3O — CID 91666710

IUPAC4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine
SMILESNC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C10H14FN3O/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h5-6,8-9H,1-4,12H2
InChIKeyRHGSGOTWTNYDPT-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.26
Rot. Bonds2

About 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine

4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine (PubChem CID 91666710) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine.

Molecular Properties

Compound Name4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine
PubChem CID91666710
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine
SMILESNC1CCC(Oc2ncc(F)cn2)CC1
InChIInChI=1S/C10H14FN3O/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h5-6,8-9H,1-4,12H2
InChIKeyRHGSGOTWTNYDPT-UHFFFAOYSA-N
XLogP1.26
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine?
The IUPAC name of 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine (CID 91666710) is 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine.
What is the SMILES notation for 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine?
The canonical SMILES for 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine is NC1CCC(Oc2ncc(F)cn2)CC1.
What is the InChIKey of 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine?
The InChIKey is RHGSGOTWTNYDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c11-7-5-13-10(14-6-7)15-9-3-1-8(12)2-4-9/h5-6,8-9H,1-4,12H2.
What are the key properties of 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine?
4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine has a molecular weight of 211.24 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoropyrimidin-2-yl)oxycyclohexan-1-amine is sourced from PubChem (CID 91666710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).