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

C21H25Cl2N5O — CID 5327876

IUPAC6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C21H25Cl2N5O/c1-4-28(5-2)11-7-10-24-21-25-13-14-12-15(20(29)27(3)19(14)26-21)18-16(22)8-6-9-17(18)23/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,24,25,26)
InChIKeyNZHAVEPSCYGCPU-UHFFFAOYSA-N
MW434.37 g/mol
LogP4.45
Rot. Bonds8

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

6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327876) has the molecular formula C21H25Cl2N5O and a molecular weight of 434.37 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5327876
Molecular FormulaC21H25Cl2N5O
Molecular Weight434.37 g/mol
Exact Mass433.14
IUPAC Name6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one
SMILESCCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1
InChIInChI=1S/C21H25Cl2N5O/c1-4-28(5-2)11-7-10-24-21-25-13-14-12-15(20(29)27(3)19(14)26-21)18-16(22)8-6-9-17(18)23/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,24,25,26)
InChIKeyNZHAVEPSCYGCPU-UHFFFAOYSA-N
XLogP4.45
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.37
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one (CID 5327876) is 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one is CCN(CC)CCCNc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(C)c2n1.
What is the InChIKey of 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is NZHAVEPSCYGCPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25Cl2N5O/c1-4-28(5-2)11-7-10-24-21-25-13-14-12-15(20(29)27(3)19(14)26-21)18-16(22)8-6-9-17(18)23/h6,8-9,12-13H,4-5,7,10-11H2,1-3H3,(H,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 434.37 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-2-[3-(diethylamino)propylamino]-8-methylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).