6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

C15H12Cl2N4O — CID 5327868

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C15H12Cl2N4O/c1-18-15-19-7-8-6-9(14(22)21(2)13(8)20-15)12-10(16)4-3-5-11(12)17/h3-7H,1-2H3,(H,18,19,20)
InChIKeyUZGZLCVPKWOCDZ-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.34
Rot. Bonds2

About 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327868) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327868
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C15H12Cl2N4O/c1-18-15-19-7-8-6-9(14(22)21(2)13(8)20-15)12-10(16)4-3-5-11(12)17/h3-7H,1-2H3,(H,18,19,20)
InChIKeyUZGZLCVPKWOCDZ-UHFFFAOYSA-N
XLogP3.34
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327868) is 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is CNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is UZGZLCVPKWOCDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-18-15-19-7-8-6-9(14(22)21(2)13(8)20-15)12-10(16)4-3-5-11(12)17/h3-7H,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 335.19 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-(methylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).