2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

C11H17N3O2 — CID 136941055

IUPAC2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC(OC)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C11H17N3O2/c1-3-9(16-2)10-13-8-4-5-12-6-7(8)11(15)14-10/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLPKDIWORFVJAAL-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.51
Rot. Bonds3

About 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one

2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941055) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941055
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCC(OC)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C11H17N3O2/c1-3-9(16-2)10-13-8-4-5-12-6-7(8)11(15)14-10/h9,12H,3-6H2,1-2H3,(H,13,14,15)
InChIKeyLPKDIWORFVJAAL-UHFFFAOYSA-N
XLogP0.51
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136890508
2-(2,2,3,3-tetrafluoropropoxymethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136890509
3-(2-Methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619779
3-(2-Methoxyethyl)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619787
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-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619793
2-Methyl-3-((tetrahydrofuran-2-yl)methyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 102549248
2-(2,4-dimethyl-6-oxo-1H-pyrimidin-5-yl)-N-(2-methoxyethyl)acetamide
CID 135896895
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
5-[1-(1,4-dioxan-2-ylmethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136082024
5-[1-(1-methoxypropan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091195

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941055) is 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCC(OC)c1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is LPKDIWORFVJAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-3-9(16-2)10-13-8-4-5-12-6-7(8)11(15)14-10/h9,12H,3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of 0.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxypropyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).