3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

C10H15N3O — CID 83878477

IUPAC3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)n1cnc2c(c1=O)CCNC2
InChIInChI=1S/C10H15N3O/c1-7(2)13-6-12-9-5-11-4-3-8(9)10(13)14/h6-7,11H,3-5H2,1-2H3
InChIKeyNCIQTNYJXWLGSI-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.47
Rot. Bonds1

About 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one

3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (PubChem CID 83878477) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
PubChem CID83878477
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
SMILESCC(C)n1cnc2c(c1=O)CCNC2
InChIInChI=1S/C10H15N3O/c1-7(2)13-6-12-9-5-11-4-3-8(9)10(13)14/h6-7,11H,3-5H2,1-2H3
InChIKeyNCIQTNYJXWLGSI-UHFFFAOYSA-N
XLogP0.47
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.47
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
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
3H,4H,5H,6H,7H,8H-pyrido(3,4-d)pyrimidin-4-one dihydrochloride
CID 136966285
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
2-(Trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-D]pyrimidin-4-OL
CID 135610100
5,6,7,8-Tetrahydropyrido[3,4-D]pyrimidin-4(3H)-one
CID 135741601
6,7,8,9-tetrahydro-3H-pyrimido[4,5-d]azepin-4(5H)-one
CID 135741817
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

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The IUPAC name of 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one (CID 83878477) is 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one.
What is the SMILES notation for 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The canonical SMILES for 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is CC(C)n1cnc2c(c1=O)CCNC2.
What is the InChIKey of 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
The InChIKey is NCIQTNYJXWLGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-7(2)13-6-12-9-5-11-4-3-8(9)10(13)14/h6-7,11H,3-5H2,1-2H3.
What are the key properties of 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one?
3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one has a molecular weight of 193.25 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-4-one is sourced from PubChem (CID 83878477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).