1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one

C13H19N3O — CID 72719372

IUPAC1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C13H19N3O/c1-13(2,3)6-12(17)16-5-4-11-10(8-16)7-14-9-15-11/h7,9H,4-6,8H2,1-3H3
InChIKeyWCRCDEPFBBMSMD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.80
Rot. Bonds1

About 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one (PubChem CID 72719372) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one
PubChem CID72719372
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one
SMILESCC(C)(C)CC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C13H19N3O/c1-13(2,3)6-12(17)16-5-4-11-10(8-16)7-14-9-15-11/h7,9H,4-6,8H2,1-3H3
InChIKeyWCRCDEPFBBMSMD-UHFFFAOYSA-N
XLogP1.80
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one (CID 72719372) is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one is CC(C)(C)CC(=O)N1CCc2ncncc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one?
The InChIKey is WCRCDEPFBBMSMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-13(2,3)6-12(17)16-5-4-11-10(8-16)7-14-9-15-11/h7,9H,4-6,8H2,1-3H3.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one?
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one has a molecular weight of 233.31 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-3,3-dimethylbutan-1-one is sourced from PubChem (CID 72719372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).