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

C16H14Cl2N4O — CID 5328626

IUPAC2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C16H14Cl2N4O/c1-2-6-22-14-9(8-20-16(19)21-14)7-10(15(22)23)13-11(17)4-3-5-12(13)18/h3-5,7-8H,2,6H2,1H3,(H2,19,20,21)
InChIKeyURPMELUGCLZPCA-UHFFFAOYSA-N
MW349.22 g/mol
LogP3.76
Rot. Bonds3

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

2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328626) has the molecular formula C16H14Cl2N4O and a molecular weight of 349.22 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one
PubChem CID5328626
Molecular FormulaC16H14Cl2N4O
Molecular Weight349.22 g/mol
Exact Mass348.05
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one
SMILESCCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C16H14Cl2N4O/c1-2-6-22-14-9(8-20-16(19)21-14)7-10(15(22)23)13-11(17)4-3-5-12(13)18/h3-5,7-8H,2,6H2,1H3,(H2,19,20,21)
InChIKeyURPMELUGCLZPCA-UHFFFAOYSA-N
XLogP3.76
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.22
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one (CID 5328626) is 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one is CCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is URPMELUGCLZPCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O/c1-2-6-22-14-9(8-20-16(19)21-14)7-10(15(22)23)13-11(17)4-3-5-12(13)18/h3-5,7-8H,2,6H2,1H3,(H2,19,20,21).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 349.22 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,6-dichlorophenyl)-8-propylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).