7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C9H13N3O — CID 137263249

IUPAC7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCN1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C9H13N3O/c1-2-12-4-3-7-8(5-12)10-6-11-9(7)13/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyRZIOBKHSFNQOKI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.15
Rot. Bonds1

About 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 137263249) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID137263249
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCN1CCc2c(nc[nH]c2=O)C1
InChIInChI=1S/C9H13N3O/c1-2-12-4-3-7-8(5-12)10-6-11-9(7)13/h6H,2-5H2,1H3,(H,10,11,13)
InChIKeyRZIOBKHSFNQOKI-UHFFFAOYSA-N
XLogP0.15
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Pyrimidinol, 5-ethyl-6-methyl-
CID 135854967
7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride
CID 135741600
tert-butyl 4-hydroxy-5H,6H,7H,8H-pyrido[3,4-d]pyrimidine-7-carboxylate
CID 135741723
3-methyl-3H,4H,5H,6H,7H,8H-pyrido(3,4-d)pyrimidin-4-one dihydrochloride
CID 86775360
3H,4H,5H,6H,7H,8H-pyrido(3,4-d)pyrimidin-4-one dihydrochloride
CID 136966285
7-[(2S)-2,3,3-trimethylbutanoyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 164640445
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480674
5,6,7,8-Tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one
CID 135741601
6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one
CID 135741817
3-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83895445
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103483905

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 137263249) is 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCN1CCc2c(nc[nH]c2=O)C1.
What is the InChIKey of 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RZIOBKHSFNQOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-4-3-7-8(5-12)10-6-11-9(7)13/h6H,2-5H2,1H3,(H,10,11,13).
What are the key properties of 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 137263249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).