N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine

C13H19FN4O2 — CID 131638130

IUPACN-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2COC3(CNCCOC3)C2)nc1
InChIInChI=1S/C13H19FN4O2/c14-11-5-17-12(18-6-11)16-4-10-3-13(20-7-10)8-15-1-2-19-9-13/h5-6,10,15H,1-4,7-9H2,(H,16,17,18)
InChIKeyUKEIDCHBDSGIIJ-UHFFFAOYSA-N
MW282.32 g/mol
LogP0.42
Rot. Bonds3

About N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine

N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine (PubChem CID 131638130) has the molecular formula C13H19FN4O2 and a molecular weight of 282.32 g/mol. Its IUPAC name is N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine
PubChem CID131638130
Molecular FormulaC13H19FN4O2
Molecular Weight282.32 g/mol
Exact Mass282.15
IUPAC NameN-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine
SMILESFc1cnc(NCC2COC3(CNCCOC3)C2)nc1
InChIInChI=1S/C13H19FN4O2/c14-11-5-17-12(18-6-11)16-4-10-3-13(20-7-10)8-15-1-2-19-9-13/h5-6,10,15H,1-4,7-9H2,(H,16,17,18)
InChIKeyUKEIDCHBDSGIIJ-UHFFFAOYSA-N
XLogP0.42
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
The IUPAC name of N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine (CID 131638130) is N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine.
What is the SMILES notation for N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
The canonical SMILES for N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine is Fc1cnc(NCC2COC3(CNCCOC3)C2)nc1.
What is the InChIKey of N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
The InChIKey is UKEIDCHBDSGIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19FN4O2/c14-11-5-17-12(18-6-11)16-4-10-3-13(20-7-10)8-15-1-2-19-9-13/h5-6,10,15H,1-4,7-9H2,(H,16,17,18).
What are the key properties of N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine?
N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine has a molecular weight of 282.32 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,10-dioxa-7-azaspiro[4.6]undecan-3-ylmethyl)-5-fluoropyrimidin-2-amine is sourced from PubChem (CID 131638130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).