3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C14H21N3O2 — CID 103483921

IUPAC3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CCC(Cn2cnc3c(c2=O)CCNC3)O1
InChIInChI=1S/C14H21N3O2/c1-14(2)5-3-10(19-14)8-17-9-16-12-7-15-6-4-11(12)13(17)18/h9-10,15H,3-8H2,1-2H3
InChIKeyCWTWYZNFCKKSQI-UHFFFAOYSA-N
MW263.34 g/mol
LogP0.85
Rot. Bonds2

About 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483921) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483921
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC1(C)CCC(Cn2cnc3c(c2=O)CCNC3)O1
InChIInChI=1S/C14H21N3O2/c1-14(2)5-3-10(19-14)8-17-9-16-12-7-15-6-4-11(12)13(17)18/h9-10,15H,3-8H2,1-2H3
InChIKeyCWTWYZNFCKKSQI-UHFFFAOYSA-N
XLogP0.85
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one with MolForge

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Related Compounds

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
3-(Tetrahydro-furan-2-ylmethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 102549247
2-Methyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549248
3-(Oxolan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483507
3-(2-Propan-2-yloxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483547
3-[2-[(2-Methylpropan-2-yl)oxy]ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483558
3-(1-Oxaspiro[4.4]nonan-2-ylmethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483562
3-[2-(3-Methylbutoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483657

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483921) is 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC1(C)CCC(Cn2cnc3c(c2=O)CCNC3)O1.
What is the InChIKey of 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CWTWYZNFCKKSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)5-3-10(19-14)8-17-9-16-12-7-15-6-4-11(12)13(17)18/h9-10,15H,3-8H2,1-2H3.
What are the key properties of 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 263.34 g/mol, XLogP of 0.85, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5-dimethyloxolan-2-yl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).