6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

C21H23Cl2N5O2 — CID 5327877

IUPAC6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)nc21
InChIInChI=1S/C21H23Cl2N5O2/c1-27-19-14(12-15(20(27)29)18-16(22)4-2-5-17(18)23)13-25-21(26-19)24-6-3-7-28-8-10-30-11-9-28/h2,4-5,12-13H,3,6-11H2,1H3,(H,24,25,26)
InChIKeyCSLJSOAIJCEXMF-UHFFFAOYSA-N
MW448.35 g/mol
LogP3.44
Rot. Bonds6

About 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one

6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5327877) has the molecular formula C21H23Cl2N5O2 and a molecular weight of 448.35 g/mol. Its IUPAC name is 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5327877
Molecular FormulaC21H23Cl2N5O2
Molecular Weight448.35 g/mol
Exact Mass447.12
IUPAC Name6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one
SMILESCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)nc21
InChIInChI=1S/C21H23Cl2N5O2/c1-27-19-14(12-15(20(27)29)18-16(22)4-2-5-17(18)23)13-25-21(26-19)24-6-3-7-28-8-10-30-11-9-28/h2,4-5,12-13H,3,6-11H2,1H3,(H,24,25,26)
InChIKeyCSLJSOAIJCEXMF-UHFFFAOYSA-N
XLogP3.44
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one (CID 5327877) is 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one is Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)nc21.
What is the InChIKey of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is CSLJSOAIJCEXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2N5O2/c1-27-19-14(12-15(20(27)29)18-16(22)4-2-5-17(18)23)13-25-21(26-19)24-6-3-7-28-8-10-30-11-9-28/h2,4-5,12-13H,3,6-11H2,1H3,(H,24,25,26).
What are the key properties of 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one?
6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 448.35 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dichlorophenyl)-8-methyl-2-(3-morpholin-4-ylpropylamino)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5327877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).