1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

C14H16N4O2 — CID 72719483

IUPAC1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C14H16N4O2/c1-9-12(10(2)20-17-9)5-14(19)18-4-3-13-11(7-18)6-15-8-16-13/h6,8H,3-5,7H2,1-2H3
InChIKeyZPTZEGAVSDETON-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.21
Rot. Bonds2

About 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone

1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (PubChem CID 72719483) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
PubChem CID72719483
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
SMILESCc1noc(C)c1CC(=O)N1CCc2ncncc2C1
InChIInChI=1S/C14H16N4O2/c1-9-12(10(2)20-17-9)5-14(19)18-4-3-13-11(7-18)6-15-8-16-13/h6,8H,3-5,7H2,1-2H3
InChIKeyZPTZEGAVSDETON-UHFFFAOYSA-N
XLogP1.21
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The IUPAC name of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone (CID 72719483) is 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone.
What is the SMILES notation for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The canonical SMILES for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is Cc1noc(C)c1CC(=O)N1CCc2ncncc2C1.
What is the InChIKey of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
The InChIKey is ZPTZEGAVSDETON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-12(10(2)20-17-9)5-14(19)18-4-3-13-11(7-18)6-15-8-16-13/h6,8H,3-5,7H2,1-2H3.
What are the key properties of 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone?
1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone has a molecular weight of 272.31 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone is sourced from PubChem (CID 72719483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).