6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid

C20H20Cl2N4O3 — CID 5327884

IUPAC6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCCC(=O)O)nc21
InChIInChI=1S/C20H20Cl2N4O3/c1-26-18-12(10-13(19(26)29)17-14(21)6-5-7-15(17)22)11-24-20(25-18)23-9-4-2-3-8-16(27)28/h5-7,10-11H,2-4,8-9H2,1H3,(H,27,28)(H,23,24,25)
InChIKeyGWLRNLPJEBRBCZ-UHFFFAOYSA-N
MW435.31 g/mol
LogP4.36
Rot. Bonds8

About 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid

6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid (PubChem CID 5327884) has the molecular formula C20H20Cl2N4O3 and a molecular weight of 435.31 g/mol. Its IUPAC name is 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid.

Molecular Properties

Compound Name6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid
PubChem CID5327884
Molecular FormulaC20H20Cl2N4O3
Molecular Weight435.31 g/mol
Exact Mass434.09
IUPAC Name6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCCC(=O)O)nc21
InChIInChI=1S/C20H20Cl2N4O3/c1-26-18-12(10-13(19(26)29)17-14(21)6-5-7-15(17)22)11-24-20(25-18)23-9-4-2-3-8-16(27)28/h5-7,10-11H,2-4,8-9H2,1H3,(H,27,28)(H,23,24,25)
InChIKeyGWLRNLPJEBRBCZ-UHFFFAOYSA-N
XLogP4.36
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.31
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid with MolForge

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Related Compounds

PD-180970
CID 5311104
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
PD-166326
CID 447700
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 32
CID 5327879
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 33
CID 5327880
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 42
CID 5327889
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 43
CID 5327890

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid?
The IUPAC name of 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid (CID 5327884) is 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid.
What is the SMILES notation for 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid?
The canonical SMILES for 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCCC(=O)O)nc21.
What is the InChIKey of 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid?
The InChIKey is GWLRNLPJEBRBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N4O3/c1-26-18-12(10-13(19(26)29)17-14(21)6-5-7-15(17)22)11-24-20(25-18)23-9-4-2-3-8-16(27)28/h5-7,10-11H,2-4,8-9H2,1H3,(H,27,28)(H,23,24,25).
What are the key properties of 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid?
6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid has a molecular weight of 435.31 g/mol, XLogP of 4.36, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[6-(2,6-dichlorophenyl)-8-methyl-7-oxopyrido[2,3-d]pyrimidin-2-yl]amino]hexanoic acid is sourced from PubChem (CID 5327884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).