N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine

C12H17N3O2 — CID 86777500

IUPACN-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine
SMILESc1cnc(NC2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C12H17N3O2/c1-6-13-11(14-7-1)15-10-2-4-12(5-3-10)16-8-9-17-12/h1,6-7,10H,2-5,8-9H2,(H,13,14,15)
InChIKeyNYHDRFZCQGIOKD-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.57
Rot. Bonds2

About N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine

N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine (PubChem CID 86777500) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine
PubChem CID86777500
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC NameN-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine
SMILESc1cnc(NC2CCC3(CC2)OCCO3)nc1
InChIInChI=1S/C12H17N3O2/c1-6-13-11(14-7-1)15-10-2-4-12(5-3-10)16-8-9-17-12/h1,6-7,10H,2-5,8-9H2,(H,13,14,15)
InChIKeyNYHDRFZCQGIOKD-UHFFFAOYSA-N
XLogP1.57
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The IUPAC name of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine (CID 86777500) is N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The canonical SMILES for N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine is c1cnc(NC2CCC3(CC2)OCCO3)nc1.
What is the InChIKey of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
The InChIKey is NYHDRFZCQGIOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-6-13-11(14-7-1)15-10-2-4-12(5-3-10)16-8-9-17-12/h1,6-7,10H,2-5,8-9H2,(H,13,14,15).
What are the key properties of N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine?
N-(1,4-dioxaspiro[4.5]decan-8-yl)pyrimidin-2-amine has a molecular weight of 235.29 g/mol, XLogP of 1.57, 2 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-8-yl)pyrimidin-2-amine is sourced from PubChem (CID 86777500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).