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

C11H17N3O2 — CID 103483827

IUPAC3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C11H17N3O2/c1-16-6-2-5-14-8-13-10-7-12-4-3-9(10)11(14)15/h8,12H,2-7H2,1H3
InChIKeyCMLUVWIAYQAPHP-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.07
Rot. Bonds4

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

3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483827) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483827
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCOCCCn1cnc2c(c1=O)CCNC2
InChIInChI=1S/C11H17N3O2/c1-16-6-2-5-14-8-13-10-7-12-4-3-9(10)11(14)15/h8,12H,2-7H2,1H3
InChIKeyCMLUVWIAYQAPHP-UHFFFAOYSA-N
XLogP-0.07
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
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
3-(2,2,2-Trifluoroethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83895445
3-[3-(2,2,2-Trifluoroethoxy)propyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483587
3-[2-(2,2,2-Trifluoroethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483902
7-(4,4,4-trifluorobutanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136100565
7-(2-propoxypropanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136112902

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483827) is 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is COCCCn1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is CMLUVWIAYQAPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-6-2-5-14-8-13-10-7-12-4-3-9(10)11(14)15/h8,12H,2-7H2,1H3.
What are the key properties of 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 223.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).