(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

C14H21N5O3 — CID 95870692

IUPAC(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)Oc1cc(N2CCC[C@]3(CNC(=O)O3)C2)nc(N)n1
InChIInChI=1S/C14H21N5O3/c1-9(2)21-11-6-10(17-12(15)18-11)19-5-3-4-14(8-19)7-16-13(20)22-14/h6,9H,3-5,7-8H2,1-2H3,(H,16,20)(H2,15,17,18)/t14-/m0/s1
InChIKeyNDYYUWJALSSDHP-AWEZNQCLSA-N
MW307.35 g/mol
LogP0.92
Rot. Bonds3

About (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one

(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (PubChem CID 95870692) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
PubChem CID95870692
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one
SMILESCC(C)Oc1cc(N2CCC[C@]3(CNC(=O)O3)C2)nc(N)n1
InChIInChI=1S/C14H21N5O3/c1-9(2)21-11-6-10(17-12(15)18-11)19-5-3-4-14(8-19)7-16-13(20)22-14/h6,9H,3-5,7-8H2,1-2H3,(H,16,20)(H2,15,17,18)/t14-/m0/s1
InChIKeyNDYYUWJALSSDHP-AWEZNQCLSA-N
XLogP0.92
TPSA102.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one 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 (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The IUPAC name of (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one (CID 95870692) is (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The canonical SMILES for (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is CC(C)Oc1cc(N2CCC[C@]3(CNC(=O)O3)C2)nc(N)n1.
What is the InChIKey of (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
The InChIKey is NDYYUWJALSSDHP-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9(2)21-11-6-10(17-12(15)18-11)19-5-3-4-14(8-19)7-16-13(20)22-14/h6,9H,3-5,7-8H2,1-2H3,(H,16,20)(H2,15,17,18)/t14-/m0/s1.
What are the key properties of (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one?
(5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one has a molecular weight of 307.35 g/mol, XLogP of 0.92, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(2-amino-6-propan-2-yloxypyrimidin-4-yl)-1-oxa-3,9-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 95870692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).