4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one

C22H19Cl2N5O2 — CID 118289601

IUPAC4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(Nc3ccccc3)nc21
InChIInChI=1S/C22H19Cl2N5O2/c1-31-11-10-29-20-15(12-14(21(29)30)18-16(23)8-5-9-17(18)24)19(25)27-22(28-20)26-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,25,26,27,28)
InChIKeyLXGPKXNBHYGLIY-UHFFFAOYSA-N
MW456.33 g/mol
LogP4.74
Rot. Bonds6

About 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one

4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 118289601) has the molecular formula C22H19Cl2N5O2 and a molecular weight of 456.33 g/mol. Its IUPAC name is 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID118289601
Molecular FormulaC22H19Cl2N5O2
Molecular Weight456.33 g/mol
Exact Mass455.09
IUPAC Name4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCOCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(Nc3ccccc3)nc21
InChIInChI=1S/C22H19Cl2N5O2/c1-31-11-10-29-20-15(12-14(21(29)30)18-16(23)8-5-9-17(18)24)19(25)27-22(28-20)26-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,25,26,27,28)
InChIKeyLXGPKXNBHYGLIY-UHFFFAOYSA-N
XLogP4.74
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.33
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one (CID 118289601) is 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one is COCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2c(N)nc(Nc3ccccc3)nc21.
What is the InChIKey of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is LXGPKXNBHYGLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19Cl2N5O2/c1-31-11-10-29-20-15(12-14(21(29)30)18-16(23)8-5-9-17(18)24)19(25)27-22(28-20)26-13-6-3-2-4-7-13/h2-9,12H,10-11H2,1H3,(H3,25,26,27,28).
What are the key properties of 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one?
4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 456.33 g/mol, XLogP of 4.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-anilino-6-(2,6-dichlorophenyl)-8-(2-methoxyethyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 118289601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).