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

C21H17Cl2N5O — CID 5327883

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCc3ccccn3)nc21
InChIInChI=1S/C21H17Cl2N5O/c1-28-19-13(11-15(20(28)29)18-16(22)6-4-7-17(18)23)12-26-21(27-19)25-10-8-14-5-2-3-9-24-14/h2-7,9,11-12H,8,10H2,1H3,(H,25,26,27)
InChIKeyNRYIWRROVMCMDV-UHFFFAOYSA-N
MW426.31 g/mol
LogP4.35
Rot. Bonds5

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

6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327883) has the molecular formula C21H17Cl2N5O and a molecular weight of 426.31 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327883
Molecular FormulaC21H17Cl2N5O
Molecular Weight426.31 g/mol
Exact Mass425.08
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCc3ccccn3)nc21
InChIInChI=1S/C21H17Cl2N5O/c1-28-19-13(11-15(20(28)29)18-16(22)6-4-7-17(18)23)12-26-21(27-19)25-10-8-14-5-2-3-9-24-14/h2-7,9,11-12H,8,10H2,1H3,(H,25,26,27)
InChIKeyNRYIWRROVMCMDV-UHFFFAOYSA-N
XLogP4.35
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.31
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327883) is 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCc3ccccn3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NRYIWRROVMCMDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2N5O/c1-28-19-13(11-15(20(28)29)18-16(22)6-4-7-17(18)23)12-26-21(27-19)25-10-8-14-5-2-3-9-24-14/h2-7,9,11-12H,8,10H2,1H3,(H,25,26,27).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 426.31 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-(2-pyridin-2-ylethylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).