2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one

C21H16Cl2N4O — CID 5327886

IUPAC2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C21H16Cl2N4O/c1-2-27-19-13(12-24-21(26-19)25-14-7-4-3-5-8-14)11-15(20(27)28)18-16(22)9-6-10-17(18)23/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeyXZBKAAPFQAVYSN-UHFFFAOYSA-N
MW411.29 g/mol
LogP5.53
Rot. Bonds4

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

2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327886) has the molecular formula C21H16Cl2N4O and a molecular weight of 411.29 g/mol. Its IUPAC name is 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327886
Molecular FormulaC21H16Cl2N4O
Molecular Weight411.29 g/mol
Exact Mass410.07
IUPAC Name2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21
InChIInChI=1S/C21H16Cl2N4O/c1-2-27-19-13(12-24-21(26-19)25-14-7-4-3-5-8-14)11-15(20(27)28)18-16(22)9-6-10-17(18)23/h3-12H,2H2,1H3,(H,24,25,26)
InChIKeyXZBKAAPFQAVYSN-UHFFFAOYSA-N
XLogP5.53
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.29
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
2,4-Bisanilinopyrimidine, 10
CID 44139710
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 6p
CID 70702144
Bisanilinopyrimidine, 9m
CID 70702160
6-(2-chloro-4-(6-methylpyrazin-2-yl)phenyl)-8-ethyl-2-((2-(1-methylpiperidin-4-yl)ethyl)amino)pyrido[2,3-d]pyrimidin-7(8H)-one
CID 71557891
PD-166326
CID 447700
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870

Frequently Asked Questions

What is the IUPAC name of 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5327886) is 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21.
What is the InChIKey of 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is XZBKAAPFQAVYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl2N4O/c1-2-27-19-13(12-24-21(26-19)25-14-7-4-3-5-8-14)11-15(20(27)28)18-16(22)9-6-10-17(18)23/h3-12H,2H2,1H3,(H,24,25,26).
What are the key properties of 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one?
2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 411.29 g/mol, XLogP of 5.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilino-6-(2,6-dichlorophenyl)-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).