[3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol

C21H18Cl2N4O2 — CID 141212301

IUPAC[3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCON1CC(c2c(Cl)cccc2Cl)=Cc2cnc(Nc3cccc(CO)c3)nc21
InChIInChI=1S/C21H18Cl2N4O2/c1-29-27-11-15(19-17(22)6-3-7-18(19)23)9-14-10-24-21(26-20(14)27)25-16-5-2-4-13(8-16)12-28/h2-10,28H,11-12H2,1H3,(H,24,25,26)
InChIKeyKBYPFRZINMVAFA-UHFFFAOYSA-N
MW429.31 g/mol
LogP4.94
Rot. Bonds5

About [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol

[3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol (PubChem CID 141212301) has the molecular formula C21H18Cl2N4O2 and a molecular weight of 429.31 g/mol. Its IUPAC name is [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol.

Molecular Properties

Compound Name[3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol
PubChem CID141212301
Molecular FormulaC21H18Cl2N4O2
Molecular Weight429.31 g/mol
Exact Mass428.08
IUPAC Name[3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol
SMILESCON1CC(c2c(Cl)cccc2Cl)=Cc2cnc(Nc3cccc(CO)c3)nc21
InChIInChI=1S/C21H18Cl2N4O2/c1-29-27-11-15(19-17(22)6-3-7-18(19)23)9-14-10-24-21(26-20(14)27)25-16-5-2-4-13(8-16)12-28/h2-10,28H,11-12H2,1H3,(H,24,25,26)
InChIKeyKBYPFRZINMVAFA-UHFFFAOYSA-N
XLogP4.94
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol?
The IUPAC name of [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol (CID 141212301) is [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol.
What is the SMILES notation for [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol?
The canonical SMILES for [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol is CON1CC(c2c(Cl)cccc2Cl)=Cc2cnc(Nc3cccc(CO)c3)nc21.
What is the InChIKey of [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol?
The InChIKey is KBYPFRZINMVAFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N4O2/c1-29-27-11-15(19-17(22)6-3-7-18(19)23)9-14-10-24-21(26-20(14)27)25-16-5-2-4-13(8-16)12-28/h2-10,28H,11-12H2,1H3,(H,24,25,26).
What are the key properties of [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol?
[3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol has a molecular weight of 429.31 g/mol, XLogP of 4.94, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[6-(2,6-dichlorophenyl)-8-methoxy-7H-pyrido[2,3-d]pyrimidin-2-yl]amino]phenyl]methanol is sourced from PubChem (CID 141212301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).