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

C9H13N3O — CID 83670995

IUPAC3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CNCC2
InChIInChI=1S/C9H13N3O/c1-2-12-6-11-8-3-4-10-5-7(8)9(12)13/h6,10H,2-5H2,1H3
InChIKeyRPMOJQHORNOWFR-UHFFFAOYSA-N
MW179.22 g/mol
LogP-0.09
Rot. Bonds1

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

3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (PubChem CID 83670995) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
PubChem CID83670995
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
SMILESCCn1cnc2c(c1=O)CNCC2
InChIInChI=1S/C9H13N3O/c1-2-12-6-11-8-3-4-10-5-7(8)9(12)13/h6,10H,2-5H2,1H3
InChIKeyRPMOJQHORNOWFR-UHFFFAOYSA-N
XLogP-0.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-acetyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 136380778
5,6,7,8-Tetrahydropyrido[4,3-d]pyrimidin-4(3H)-one
CID 135627628
2-Methyl-5,6,7,8-tetrahydropyrido[4,3-D]pyrimidin-4(3H)-one
CID 135578164
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[4,3-d]pyrimidin-4-one dihydrochloride
CID 136224680
3-methyl-3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one
CID 75480674
6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one
CID 135741817
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4(1H)-one
CID 136145843
6-Fluoro-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 144073282
3-Cyclopropyl-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83671003
3-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 83895446
6-Methyl-2-(trifluoromethyl)-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135861536

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one (CID 83670995) is 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is CCn1cnc2c(c1=O)CNCC2.
What is the InChIKey of 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
The InChIKey is RPMOJQHORNOWFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-12-6-11-8-3-4-10-5-7(8)9(12)13/h6,10H,2-5H2,1H3.
What are the key properties of 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one?
3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one has a molecular weight of 179.22 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 83670995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).