1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone

C19H18Cl2N6O — CID 68915006

IUPAC1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(Cl)c(Cl)c4)nc23)CC1
InChIInChI=1S/C19H18Cl2N6O/c1-11(28)26-6-8-27(9-7-26)18-17-16(24-19(22)25-18)5-4-15(23-17)12-2-3-13(20)14(21)10-12/h2-5,10H,6-9H2,1H3,(H2,22,24,25)
InChIKeyGXLSDQLUVUHBKL-UHFFFAOYSA-N
MW417.30 g/mol
LogP3.25
Rot. Bonds2

About 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 68915006) has the molecular formula C19H18Cl2N6O and a molecular weight of 417.30 g/mol. Its IUPAC name is 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID68915006
Molecular FormulaC19H18Cl2N6O
Molecular Weight417.30 g/mol
Exact Mass416.09
IUPAC Name1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(Cl)c(Cl)c4)nc23)CC1
InChIInChI=1S/C19H18Cl2N6O/c1-11(28)26-6-8-27(9-7-26)18-17-16(24-19(22)25-18)5-4-15(23-17)12-2-3-13(20)14(21)10-12/h2-5,10H,6-9H2,1H3,(H2,22,24,25)
InChIKeyGXLSDQLUVUHBKL-UHFFFAOYSA-N
XLogP3.25
TPSA88.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-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-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 68915006) is 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2nc(N)nc3ccc(-c4ccc(Cl)c(Cl)c4)nc23)CC1.
What is the InChIKey of 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is GXLSDQLUVUHBKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N6O/c1-11(28)26-6-8-27(9-7-26)18-17-16(24-19(22)25-18)5-4-15(23-17)12-2-3-13(20)14(21)10-12/h2-5,10H,6-9H2,1H3,(H2,22,24,25).
What are the key properties of 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 417.30 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-amino-6-(3,4-dichlorophenyl)pyrido[3,2-d]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 68915006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).