2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one

C18H19Cl2N5O — CID 5328634

IUPAC2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C18H19Cl2N5O/c1-24(2)7-4-8-25-16-11(10-22-18(21)23-16)9-12(17(25)26)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,21,22,23)
InChIKeyGQDVHGJYRQHKDS-UHFFFAOYSA-N
MW392.29 g/mol
LogP3.30
Rot. Bonds5

About 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one

2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328634) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one
PubChem CID5328634
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one
SMILESCN(C)CCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C18H19Cl2N5O/c1-24(2)7-4-8-25-16-11(10-22-18(21)23-16)9-12(17(25)26)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,21,22,23)
InChIKeyGQDVHGJYRQHKDS-UHFFFAOYSA-N
XLogP3.30
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one (CID 5328634) is 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one is CN(C)CCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is GQDVHGJYRQHKDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-24(2)7-4-8-25-16-11(10-22-18(21)23-16)9-12(17(25)26)15-13(19)5-3-6-14(15)20/h3,5-6,9-10H,4,7-8H2,1-2H3,(H2,21,22,23).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 392.29 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-8-[3-(dimethylamino)propyl]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).