3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C13H17N5O — CID 103483663

IUPAC3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCCn1ccnc1)CNCC2
InChIInChI=1S/C13H17N5O/c19-13-11-2-3-14-8-12(11)16-10-18(13)6-1-5-17-7-4-15-9-17/h4,7,9-10,14H,1-3,5-6,8H2
InChIKeyVWTGVJHSCACNBE-UHFFFAOYSA-N
MW259.31 g/mol
LogP0.18
Rot. Bonds4

About 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 103483663) has the molecular formula C13H17N5O and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID103483663
Molecular FormulaC13H17N5O
Molecular Weight259.31 g/mol
Exact Mass259.14
IUPAC Name3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1CCCn1ccnc1)CNCC2
InChIInChI=1S/C13H17N5O/c19-13-11-2-3-14-8-12(11)16-10-18(13)6-1-5-17-7-4-15-9-17/h4,7,9-10,14H,1-3,5-6,8H2
InChIKeyVWTGVJHSCACNBE-UHFFFAOYSA-N
XLogP0.18
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-imidazol-1-ylpropyl)-4,5,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 64853790
3-(3-pyrrolidin-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483592
3-[2-(2-methylimidazol-1-yl)ethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483907
3-(3-phenoxypropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483596
6-chloro-3-(3-imidazol-1-ylpropyl)-5-iodopyrimidin-4-one
CID 114584039
1-ethyl-3-(3-imidazol-1-ylpropyl)imidazol-2-one
CID 116624386
3-bromo-1-(3-imidazol-1-ylpropyl)pyridin-2-one
CID 114761432
3-(3-imidazol-1-ylpropyl)-6,7,8-trimethoxyquinazolin-4-one
CID 171388321
3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483835
3-[(5-bromo-3-pyridinyl)methyl]-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 103483559
3-(3-imidazol-1-ylpropyl)-7,8-dimethoxy-5H-pyrimido[5,4-b]indol-4-one
CID 4252942
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-propan-2-ylacetamide
CID 103483635

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 103483663) is 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1CCCn1ccnc1)CNCC2.
What is the InChIKey of 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is VWTGVJHSCACNBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O/c19-13-11-2-3-14-8-12(11)16-10-18(13)6-1-5-17-7-4-15-9-17/h4,7,9-10,14H,1-3,5-6,8H2.
What are the key properties of 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 259.31 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpropyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 103483663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).