9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C13H18N4O3 — CID 97471367

IUPAC9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC3(CC2)CNC(=O)CO3)ncn1
InChIInChI=1S/C13H18N4O3/c1-19-12-6-10(15-9-16-12)17-4-2-13(3-5-17)8-14-11(18)7-20-13/h6,9H,2-5,7-8H2,1H3,(H,14,18)
InChIKeyLWLSCZVTKPHQMV-UHFFFAOYSA-N
MW278.31 g/mol
LogP-0.03
Rot. Bonds2

About 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 97471367) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID97471367
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Name9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCOc1cc(N2CCC3(CC2)CNC(=O)CO3)ncn1
InChIInChI=1S/C13H18N4O3/c1-19-12-6-10(15-9-16-12)17-4-2-13(3-5-17)8-14-11(18)7-20-13/h6,9H,2-5,7-8H2,1H3,(H,14,18)
InChIKeyLWLSCZVTKPHQMV-UHFFFAOYSA-N
XLogP-0.03
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

9-(6-Methoxypyrimidin-4-yl)-4-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 97471375
9-(6-Methoxypyrimidin-4-yl)-5-methyl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118740703
1-Cyclohexyl-3-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)urea
CID 44069692
N-[2-(6-piperidino-4-pyrimidinyloxy)ethyl]cyclopropanecarboxamide
CID 44069694
N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopentanecarboxamide
CID 45541869
(2S)-4-(2-amino-6-methoxypyrimidin-4-yl)-N,N-dimethylmorpholine-2-carboxamide
CID 164631258
1-[4-[[(6-Ethoxypyrimidin-4-yl)amino]methyl]piperidin-1-yl]-2,2,2-trifluoroethanone
CID 133485946
2-(4,4-Difluoropiperidine-1-carbonyl)-4-(6-methoxypyrimidin-4-yl)morpholine
CID 163349262
N-{[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}acetamide
CID 165431973
N-{[4-fluoro-1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]methyl}cyclopropanecarboxamide
CID 165432140
N-(2,2-difluoroethyl)-2-[1-(6-methoxypyrimidin-4-yl)piperidin-4-yl]acetamide
CID 175648382
N-(2-((6-morpholinopyrimidin-4-yl)oxy)ethyl)cyclopropanecarboxamide
CID 45541832

Frequently Asked Questions

What is the IUPAC name of 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 97471367) is 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is COc1cc(N2CCC3(CC2)CNC(=O)CO3)ncn1.
What is the InChIKey of 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is LWLSCZVTKPHQMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-19-12-6-10(15-9-16-12)17-4-2-13(3-5-17)8-14-11(18)7-20-13/h6,9H,2-5,7-8H2,1H3,(H,14,18).
What are the key properties of 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 278.31 g/mol, XLogP of -0.03, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(6-methoxypyrimidin-4-yl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 97471367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).