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

C12H19N3O2 — CID 136941218

IUPAC2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCOC(C)(C)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C12H19N3O2/c1-4-17-12(2,3)11-14-9-5-6-13-7-8(9)10(16)15-11/h13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBDSWDDSLLMRAOV-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.69
Rot. Bonds3

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

2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136941218) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136941218
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCOC(C)(C)c1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C12H19N3O2/c1-4-17-12(2,3)11-14-9-5-6-13-7-8(9)10(16)15-11/h13H,4-7H2,1-3H3,(H,14,15,16)
InChIKeyBDSWDDSLLMRAOV-UHFFFAOYSA-N
XLogP0.69
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.69
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-Cyclopropyl-3-(2-methoxyethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 97619793
5-[1-(2-butoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 135970649
5-[1-(1-methoxypropan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091195
5-[1-(2-methoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091313
5-[1-(2-ethoxyethylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136091378
5-[1-(1-methoxybutan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136115733
5-[1-(1-ethoxypropan-2-ylamino)ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136175039
5-[1-[2-(2-methoxyethoxy)ethylamino]ethyl]-2,4-dimethyl-1H-pyrimidin-6-one
CID 136175040

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136941218) is 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCOC(C)(C)c1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is BDSWDDSLLMRAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-4-17-12(2,3)11-14-9-5-6-13-7-8(9)10(16)15-11/h13H,4-7H2,1-3H3,(H,14,15,16).
What are the key properties of 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 237.30 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136941218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).