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

C14H22N4O2 — CID 145210095

IUPAC6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1c(N)nc(N2CCC3(CCOC3)CC2)n(C)c1=O
InChIInChI=1S/C14H22N4O2/c1-10-11(15)16-13(17(2)12(10)19)18-6-3-14(4-7-18)5-8-20-9-14/h3-9,15H2,1-2H3
InChIKeyZWTWFZRUAPCMSY-UHFFFAOYSA-N
MW278.36 g/mol
LogP0.68
Rot. Bonds1

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

6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (PubChem CID 145210095) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.

Molecular Properties

Compound Name6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
PubChem CID145210095
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one
SMILESCc1c(N)nc(N2CCC3(CCOC3)CC2)n(C)c1=O
InChIInChI=1S/C14H22N4O2/c1-10-11(15)16-13(17(2)12(10)19)18-6-3-14(4-7-18)5-8-20-9-14/h3-9,15H2,1-2H3
InChIKeyZWTWFZRUAPCMSY-UHFFFAOYSA-N
XLogP0.68
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 139525765
6-Amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one;tert-butyl carbamate;ethane
CID 145210094
5-ethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 148719525
5-methyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)-1H-pyrimidin-6-one
CID 156218975
6-amino-5-iodo-3-methyl-2-[(3S)-3-methyl-2-oxa-8-azaspiro[4.5]decan-8-yl]pyrimidin-4-one
CID 166661934

Frequently Asked Questions

What is the IUPAC name of 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The IUPAC name of 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one (CID 145210095) is 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one.
What is the SMILES notation for 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The canonical SMILES for 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is Cc1c(N)nc(N2CCC3(CCOC3)CC2)n(C)c1=O.
What is the InChIKey of 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
The InChIKey is ZWTWFZRUAPCMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-10-11(15)16-13(17(2)12(10)19)18-6-3-14(4-7-18)5-8-20-9-14/h3-9,15H2,1-2H3.
What are the key properties of 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one?
6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one has a molecular weight of 278.36 g/mol, XLogP of 0.68, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3,5-dimethyl-2-(2-oxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-one is sourced from PubChem (CID 145210095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).