8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C15H22N6O2 — CID 56871374

IUPAC8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(c3nc(N)nc4c3CCNC4)CC2)OC1=O
InChIInChI=1S/C15H22N6O2/c1-20-9-15(23-14(20)22)3-6-21(7-4-15)12-10-2-5-17-8-11(10)18-13(16)19-12/h17H,2-9H2,1H3,(H2,16,18,19)
InChIKeyTUWIMSOBQGBJAT-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.13
Rot. Bonds1

About 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one

8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56871374) has the molecular formula C15H22N6O2 and a molecular weight of 318.38 g/mol. Its IUPAC name is 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56871374
Molecular FormulaC15H22N6O2
Molecular Weight318.38 g/mol
Exact Mass318.18
IUPAC Name8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(c3nc(N)nc4c3CCNC4)CC2)OC1=O
InChIInChI=1S/C15H22N6O2/c1-20-9-15(23-14(20)22)3-6-21(7-4-15)12-10-2-5-17-8-11(10)18-13(16)19-12/h17H,2-9H2,1H3,(H2,16,18,19)
InChIKeyTUWIMSOBQGBJAT-UHFFFAOYSA-N
XLogP0.13
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56871374) is 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(c3nc(N)nc4c3CCNC4)CC2)OC1=O.
What is the InChIKey of 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is TUWIMSOBQGBJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O2/c1-20-9-15(23-14(20)22)3-6-21(7-4-15)12-10-2-5-17-8-11(10)18-13(16)19-12/h17H,2-9H2,1H3,(H2,16,18,19).
What are the key properties of 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 318.38 g/mol, XLogP of 0.13, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-amino-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-3-methyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56871374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).