6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

C22H18Cl2N4O2 — CID 45487992

IUPAC6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCO)cc3)nc21
InChIInChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27)
InChIKeyHTZNZEKPDCTESZ-UHFFFAOYSA-N
MW441.32 g/mol
LogP4.58
Rot. Bonds5

About 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 45487992) has the molecular formula C22H18Cl2N4O2 and a molecular weight of 441.32 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID45487992
Molecular FormulaC22H18Cl2N4O2
Molecular Weight441.32 g/mol
Exact Mass440.08
IUPAC Name6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCO)cc3)nc21
InChIInChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27)
InChIKeyHTZNZEKPDCTESZ-UHFFFAOYSA-N
XLogP4.58
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.32
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one with MolForge

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Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
Bisanilinopyrimidine, 9l
CID 70702159
PD-166326
CID 447700
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
6-(2,6-dichlorophenyl)-2-[(2-hydroxyethyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327873
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 34
CID 5327881
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 37
CID 5327884
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 39
CID 5327886

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 45487992) is 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCO)cc3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is HTZNZEKPDCTESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18Cl2N4O2/c1-28-20-14(11-16(21(28)30)19-17(23)3-2-4-18(19)24)12-25-22(27-20)26-15-7-5-13(6-8-15)9-10-29/h2-8,11-12,29H,9-10H2,1H3,(H,25,26,27).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 441.32 g/mol, XLogP of 4.58, 5 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-[4-(2-hydroxyethyl)anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 45487992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).