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

C9H13N3O2 — CID 103483474

IUPAC3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCO)CNCC2
InChIInChI=1S/C9H13N3O2/c13-4-3-12-6-11-8-5-10-2-1-7(8)9(12)14/h6,10,13H,1-5H2
InChIKeySEBFVKRJAXJJIL-UHFFFAOYSA-N
MW195.22 g/mol
LogP-1.12
Rot. Bonds2

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

3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483474) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483474
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCO)CNCC2
InChIInChI=1S/C9H13N3O2/c13-4-3-12-6-11-8-5-10-2-1-7(8)9(12)14/h6,10,13H,1-5H2
InChIKeySEBFVKRJAXJJIL-UHFFFAOYSA-N
XLogP-1.12
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-1.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
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
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483902
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373
7-Methyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 136162888
4-Oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 136392040
7-Ethyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 137263249
8-Methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 141271338
(8R)-8-methyl-4-oxo-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidine-7-carboxylic acid
CID 175331269
3-ethyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480675
3-propyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480676

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483474) is 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CCO)CNCC2.
What is the InChIKey of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is SEBFVKRJAXJJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c13-4-3-12-6-11-8-5-10-2-1-7(8)9(12)14/h6,10,13H,1-5H2.
What are the key properties of 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 195.22 g/mol, XLogP of -1.12, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).