4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine

C9H11FN4 — CID 131113510

IUPAC4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CC3CC3C2)n1
InChIInChI=1S/C9H11FN4/c10-7-2-12-9(11)13-8(7)14-3-5-1-6(5)4-14/h2,5-6H,1,3-4H2,(H2,11,12,13)
InChIKeyLCWYDYNJOMVBIZ-UHFFFAOYSA-N
MW194.21 g/mol
LogP0.65
Rot. Bonds1

About 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine

4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine (PubChem CID 131113510) has the molecular formula C9H11FN4 and a molecular weight of 194.21 g/mol. Its IUPAC name is 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine
PubChem CID131113510
Molecular FormulaC9H11FN4
Molecular Weight194.21 g/mol
Exact Mass194.10
IUPAC Name4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine
SMILESNc1ncc(F)c(N2CC3CC3C2)n1
InChIInChI=1S/C9H11FN4/c10-7-2-12-9(11)13-8(7)14-3-5-1-6(5)4-14/h2,5-6H,1,3-4H2,(H2,11,12,13)
InChIKeyLCWYDYNJOMVBIZ-UHFFFAOYSA-N
XLogP0.65
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine?
The IUPAC name of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine (CID 131113510) is 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine is Nc1ncc(F)c(N2CC3CC3C2)n1.
What is the InChIKey of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine?
The InChIKey is LCWYDYNJOMVBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4/c10-7-2-12-9(11)13-8(7)14-3-5-1-6(5)4-14/h2,5-6H,1,3-4H2,(H2,11,12,13).
What are the key properties of 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine?
4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine has a molecular weight of 194.21 g/mol, XLogP of 0.65, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azabicyclo[3.1.0]hexan-3-yl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 131113510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).