6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

C27H29Cl2N5O2 — CID 5327909

IUPAC6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC)c3n2)cc1
InChIInChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)14-15-36-20-12-10-19(11-13-20)31-27-30-17-18-16-21(24-22(28)8-7-9-23(24)29)26(35)34(6-3)25(18)32-27/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,30,31,32)
InChIKeyVYSNYHPSOJCNIW-UHFFFAOYSA-N
MW526.47 g/mol
LogP6.25
Rot. Bonds10

About 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327909) has the molecular formula C27H29Cl2N5O2 and a molecular weight of 526.47 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327909
Molecular FormulaC27H29Cl2N5O2
Molecular Weight526.47 g/mol
Exact Mass525.17
IUPAC Name6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC)c3n2)cc1
InChIInChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)14-15-36-20-12-10-19(11-13-20)31-27-30-17-18-16-21(24-22(28)8-7-9-23(24)29)26(35)34(6-3)25(18)32-27/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,30,31,32)
InChIKeyVYSNYHPSOJCNIW-UHFFFAOYSA-N
XLogP6.25
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.47
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one (CID 5327909) is 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(CC)c3n2)cc1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is VYSNYHPSOJCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29Cl2N5O2/c1-4-33(5-2)14-15-36-20-12-10-19(11-13-20)31-27-30-17-18-16-21(24-22(28)8-7-9-23(24)29)26(35)34(6-3)25(18)32-27/h7-13,16-17H,4-6,14-15H2,1-3H3,(H,30,31,32).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 526.47 g/mol, XLogP of 6.25, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-ethylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).