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

C12H16ClN3O2 — CID 90868625

IUPAC1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCC(=O)N1CCc2nc(Cl)nc(OC(C)C)c2C1
InChIInChI=1S/C12H16ClN3O2/c1-7(2)18-11-9-6-16(8(3)17)5-4-10(9)14-12(13)15-11/h7H,4-6H2,1-3H3
InChIKeyOEGZPLXISDTUDE-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.82
Rot. Bonds2

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

1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (PubChem CID 90868625) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
PubChem CID90868625
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone
SMILESCC(=O)N1CCc2nc(Cl)nc(OC(C)C)c2C1
InChIInChI=1S/C12H16ClN3O2/c1-7(2)18-11-9-6-16(8(3)17)5-4-10(9)14-12(13)15-11/h7H,4-6H2,1-3H3
InChIKeyOEGZPLXISDTUDE-UHFFFAOYSA-N
XLogP1.82
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone (CID 90868625) is 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is CC(=O)N1CCc2nc(Cl)nc(OC(C)C)c2C1.
What is the InChIKey of 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
The InChIKey is OEGZPLXISDTUDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-7(2)18-11-9-6-16(8(3)17)5-4-10(9)14-12(13)15-11/h7H,4-6H2,1-3H3.
What are the key properties of 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone?
1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone has a molecular weight of 269.73 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-propan-2-yloxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 90868625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).