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

C16H14Cl2N4O2 — CID 5327873

IUPAC6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCO)nc21
InChIInChI=1S/C16H14Cl2N4O2/c1-22-14-9(8-20-16(21-14)19-5-6-23)7-10(15(22)24)13-11(17)3-2-4-12(13)18/h2-4,7-8,23H,5-6H2,1H3,(H,19,20,21)
InChIKeyGOWKLVGETIDUTE-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.71
Rot. Bonds4

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

6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327873) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327873
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCO)nc21
InChIInChI=1S/C16H14Cl2N4O2/c1-22-14-9(8-20-16(21-14)19-5-6-23)7-10(15(22)24)13-11(17)3-2-4-12(13)18/h2-4,7-8,23H,5-6H2,1H3,(H,19,20,21)
InChIKeyGOWKLVGETIDUTE-UHFFFAOYSA-N
XLogP2.71
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327873) is 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCO)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GOWKLVGETIDUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c1-22-14-9(8-20-16(21-14)19-5-6-23)7-10(15(22)24)13-11(17)3-2-4-12(13)18/h2-4,7-8,23H,5-6H2,1H3,(H,19,20,21).
What are the key properties of 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 365.22 g/mol, XLogP of 2.71, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-(2-hydroxyethylamino)-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).