6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one

C20H26N4O3 — CID 155002616

IUPAC6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCOc1ccccc1-c1c(N)nc(N2CCC3(CCOC3)CC2)n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-23-18(25)16(14-5-3-4-6-15(14)26-2)17(21)22-19(23)24-10-7-20(8-11-24)9-12-27-13-20/h3-6H,7-13,21H2,1-2H3
InChIKeyWPJHAFZUHIMOOB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.05
Rot. Bonds3

About 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one

6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (PubChem CID 155002616) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
PubChem CID155002616
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCOc1ccccc1-c1c(N)nc(N2CCC3(CCOC3)CC2)n(C)c1=O
InChIInChI=1S/C20H26N4O3/c1-23-18(25)16(14-5-3-4-6-15(14)26-2)17(21)22-19(23)24-10-7-20(8-11-24)9-12-27-13-20/h3-6H,7-13,21H2,1-2H3
InChIKeyWPJHAFZUHIMOOB-UHFFFAOYSA-N
XLogP2.05
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-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 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The IUPAC name of 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (CID 155002616) is 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The canonical SMILES for 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is COc1ccccc1-c1c(N)nc(N2CCC3(CCOC3)CC2)n(C)c1=O.
What is the InChIKey of 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The InChIKey is WPJHAFZUHIMOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-18(25)16(14-5-3-4-6-15(14)26-2)17(21)22-19(23)24-10-7-20(8-11-24)9-12-27-13-20/h3-6H,7-13,21H2,1-2H3.
What are the key properties of 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one has a molecular weight of 370.45 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(2-methoxyphenyl)-3-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is sourced from PubChem (CID 155002616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).