3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

C12H17N3O2 — CID 102549247

IUPAC3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCCO1)CCNC2
InChIInChI=1S/C12H17N3O2/c16-12-10-6-13-4-3-11(10)14-8-15(12)7-9-2-1-5-17-9/h8-9,13H,1-7H2
InChIKeyHCVISHMIRKMRDQ-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.07
Rot. Bonds2

About 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one

3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 102549247) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID102549247
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CC1CCCO1)CCNC2
InChIInChI=1S/C12H17N3O2/c16-12-10-6-13-4-3-11(10)14-8-15(12)7-9-2-1-5-17-9/h8-9,13H,1-7H2
InChIKeyHCVISHMIRKMRDQ-UHFFFAOYSA-N
XLogP0.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(oxolan-2-ylmethyl)-2-(1,2,5-trimethyl-6-oxopyrimidin-4-yl)acetamide
CID 91951720
2-(1,5-dimethyl-6-oxopyrimidin-4-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 91951855
3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619780
3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619781
2-methyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619788
2-methyl-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619789
2-cyclopropyl-3-[[(2R)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619794
2-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl]-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 97619795
2-Methyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549248
2-Cyclopropyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549249
3-(Oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483507
3-[(5,5-Dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483921

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 102549247) is 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is O=c1c2c(ncn1CC1CCCO1)CCNC2.
What is the InChIKey of 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HCVISHMIRKMRDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c16-12-10-6-13-4-3-11(10)14-8-15(12)7-9-2-1-5-17-9/h8-9,13H,1-7H2.
What are the key properties of 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 235.29 g/mol, XLogP of 0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 102549247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).