6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one

C25H24Cl2N6O — CID 71724879

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc12
InChIInChI=1S/C25H24Cl2N6O/c1-16-15-33(23-20(26)4-3-5-21(23)27)24(34)19-14-28-25(30-22(16)19)29-17-6-8-18(9-7-17)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30)
InChIKeyFSRYXGSLNYBDRQ-UHFFFAOYSA-N
MW495.41 g/mol
LogP4.89
Rot. Bonds4

About 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one

6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one (PubChem CID 71724879) has the molecular formula C25H24Cl2N6O and a molecular weight of 495.41 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
PubChem CID71724879
Molecular FormulaC25H24Cl2N6O
Molecular Weight495.41 g/mol
Exact Mass494.14
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one
SMILESCc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc12
InChIInChI=1S/C25H24Cl2N6O/c1-16-15-33(23-20(26)4-3-5-21(23)27)24(34)19-14-28-25(30-22(16)19)29-17-6-8-18(9-7-17)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30)
InChIKeyFSRYXGSLNYBDRQ-UHFFFAOYSA-N
XLogP4.89
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.41
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one (CID 71724879) is 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one is Cc1cn(-c2c(Cl)cccc2Cl)c(=O)c2cnc(Nc3ccc(N4CCN(C)CC4)cc3)nc12.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is FSRYXGSLNYBDRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N6O/c1-16-15-33(23-20(26)4-3-5-21(23)27)24(34)19-14-28-25(30-22(16)19)29-17-6-8-18(9-7-17)32-12-10-31(2)11-13-32/h3-9,14-15H,10-13H2,1-2H3,(H,28,29,30).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one?
6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 495.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 71724879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).