6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

C16H14Cl2N4O — CID 5327869

IUPAC6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C16H14Cl2N4O/c1-3-19-16-20-8-9-7-10(15(23)22(2)14(9)21-16)13-11(17)5-4-6-12(13)18/h4-8H,3H2,1-2H3,(H,19,20,21)
InChIKeyFNBJMQJWFBTPGJ-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.73
Rot. Bonds3

About 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327869) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327869
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C16H14Cl2N4O/c1-3-19-16-20-8-9-7-10(15(23)22(2)14(9)21-16)13-11(17)5-4-6-12(13)18/h4-8H,3H2,1-2H3,(H,19,20,21)
InChIKeyFNBJMQJWFBTPGJ-UHFFFAOYSA-N
XLogP3.73
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.73
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)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327869) is 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is CCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is FNBJMQJWFBTPGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-3-19-16-20-8-9-7-10(15(23)22(2)14(9)21-16)13-11(17)5-4-6-12(13)18/h4-8H,3H2,1-2H3,(H,19,20,21).
What are the key properties of 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 349.22 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).