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

C15H21N5O2 — CID 56756317

IUPAC3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(c3ncnc4c3CCNC4)CC2)OC1=O
InChIInChI=1S/C15H21N5O2/c1-19-9-15(22-14(19)21)3-6-20(7-4-15)13-11-2-5-16-8-12(11)17-10-18-13/h10,16H,2-9H2,1H3
InChIKeyDGNCDDOJUFFZAV-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.54
Rot. Bonds1

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

3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 56756317) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID56756317
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESCN1CC2(CCN(c3ncnc4c3CCNC4)CC2)OC1=O
InChIInChI=1S/C15H21N5O2/c1-19-9-15(22-14(19)21)3-6-20(7-4-15)13-11-2-5-16-8-12(11)17-10-18-13/h10,16H,2-9H2,1H3
InChIKeyDGNCDDOJUFFZAV-UHFFFAOYSA-N
XLogP0.54
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 56756317) is 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is CN1CC2(CCN(c3ncnc4c3CCNC4)CC2)OC1=O.
What is the InChIKey of 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is DGNCDDOJUFFZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-19-9-15(22-14(19)21)3-6-20(7-4-15)13-11-2-5-16-8-12(11)17-10-18-13/h10,16H,2-9H2,1H3.
What are the key properties of 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 303.37 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-(5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 56756317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).