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

C10H15N3O — CID 75480676

IUPAC3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C10H15N3O/c1-2-5-13-7-12-9-6-11-4-3-8(9)10(13)14/h7,11H,2-6H2,1H3
InChIKeyYSJCAGSMUHATOW-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.30
Rot. Bonds2

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

3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 75480676) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID75480676
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C10H15N3O/c1-2-5-13-7-12-9-6-11-4-3-8(9)10(13)14/h7,11H,2-6H2,1H3
InChIKeyYSJCAGSMUHATOW-UHFFFAOYSA-N
XLogP0.30
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 75480676) is 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CCCn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is YSJCAGSMUHATOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-2-5-13-7-12-9-6-11-4-3-8(9)10(13)14/h7,11H,2-6H2,1H3.
What are the key properties of 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 75480676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).