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

C11H17N3O2 — CID 136745821

IUPAC2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCOCCc1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C11H17N3O2/c1-2-16-6-4-10-13-9-3-5-12-7-8(9)11(15)14-10/h12H,2-7H2,1H3,(H,13,14,15)
InChIKeyAFSFEHYEXNELNL-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.01
Rot. Bonds4

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

2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 136745821) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID136745821
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
SMILESCCOCCc1nc2c(c(=O)[nH]1)CNCC2
InChIInChI=1S/C11H17N3O2/c1-2-16-6-4-10-13-9-3-5-12-7-8(9)11(15)14-10/h12H,2-7H2,1H3,(H,13,14,15)
InChIKeyAFSFEHYEXNELNL-UHFFFAOYSA-N
XLogP-0.01
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-Methyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one
CID 135578164
2-[2-(2,2,2-trifluoroethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136842551
2-(2,2,2-trifluoroethoxymethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136890508
2-[2-(2,2-difluoroethoxy)ethyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 137012998
2,3-Dimethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 68248622
3-Tert-butyl-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83890208
2,6-dimethyl-3H,4H,5H,6H,7H,8H-pyrido[4,3-d]pyrimidin-4-one
CID 135550557
2-Ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135782685
6-Acetyl-2-butyl-5,6,7,8-tetrahydro-pyrido-[4,3-d]pyrimidin-4(3H)-one
CID 136014034
2-((propylamino)methyl)-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 136244072
2,6,8,8-tetramethyl-5,7-dihydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 145503401
Tert-butyl 2-ethyl-4-oxo-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidine-6-carboxylate
CID 159533896

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one (CID 136745821) is 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is CCOCCc1nc2c(c(=O)[nH]1)CNCC2.
What is the InChIKey of 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is AFSFEHYEXNELNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-16-6-4-10-13-9-3-5-12-7-8(9)11(15)14-10/h12H,2-7H2,1H3,(H,13,14,15).
What are the key properties of 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one?
2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of -0.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136745821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).