N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine

C13H18FN3O2 — CID 75515987

IUPACN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2COC3(CCCCC3)O2)nc1
InChIInChI=1S/C13H18FN3O2/c14-10-6-15-12(16-7-10)17-8-11-9-18-13(19-11)4-2-1-3-5-13/h6-7,11H,1-5,8-9H2,(H,15,16,17)
InChIKeyHEWNIXZIKJDZAL-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.10
Rot. Bonds3

About N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine

N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine (PubChem CID 75515987) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine
PubChem CID75515987
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2COC3(CCCCC3)O2)nc1
InChIInChI=1S/C13H18FN3O2/c14-10-6-15-12(16-7-10)17-8-11-9-18-13(19-11)4-2-1-3-5-13/h6-7,11H,1-5,8-9H2,(H,15,16,17)
InChIKeyHEWNIXZIKJDZAL-UHFFFAOYSA-N
XLogP2.10
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine (CID 75515987) is N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine is Fc1cnc(NCC2COC3(CCCCC3)O2)nc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
The InChIKey is HEWNIXZIKJDZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c14-10-6-15-12(16-7-10)17-8-11-9-18-13(19-11)4-2-1-3-5-13/h6-7,11H,1-5,8-9H2,(H,15,16,17).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine has a molecular weight of 267.30 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxaspiro[4.5]decan-3-ylmethyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 75515987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).