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

C11H15N3O — CID 83882528

IUPAC3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1C1CCC1)CNCC2
InChIInChI=1S/C11H15N3O/c15-11-9-4-5-12-6-10(9)13-7-14(11)8-2-1-3-8/h7-8,12H,1-6H2
InChIKeyRIAPZDFUYZTNLL-UHFFFAOYSA-N
MW205.26 g/mol
LogP0.61
Rot. Bonds1

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

3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 83882528) has the molecular formula C11H15N3O and a molecular weight of 205.26 g/mol. Its IUPAC name is 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID83882528
Molecular FormulaC11H15N3O
Molecular Weight205.26 g/mol
Exact Mass205.12
IUPAC Name3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESO=c1c2c(ncn1C1CCC1)CNCC2
InChIInChI=1S/C11H15N3O/c15-11-9-4-5-12-6-10(9)13-7-14(11)8-2-1-3-8/h7-8,12H,1-6H2
InChIKeyRIAPZDFUYZTNLL-UHFFFAOYSA-N
XLogP0.61
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 50.61
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
3H,4H,5H,6H,7H,8H-pyrido[3,4-d]pyrimidin-4-one hydrochloride
CID 135741600
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(3,4-d)pyrimidin-4-one dihydrochloride
CID 136966285
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
2-(4-oxo-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103483905
7-(4,4,4-trifluorobutanoyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4(3H)-one
CID 136100565
7-(3-Sulfanylpropanoyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 177681348
3,7-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-one
CID 58863315
3-Tert-butyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 83883373

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 83882528) is 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is O=c1c2c(ncn1C1CCC1)CNCC2.
What is the InChIKey of 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is RIAPZDFUYZTNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O/c15-11-9-4-5-12-6-10(9)13-7-14(11)8-2-1-3-8/h7-8,12H,1-6H2.
What are the key properties of 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 205.26 g/mol, XLogP of 0.61, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83882528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).