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

C17H16Cl2N4O — CID 5328628

IUPAC2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C17H16Cl2N4O/c1-9(2)8-23-15-10(7-21-17(20)22-15)6-11(16(23)24)14-12(18)4-3-5-13(14)19/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
InChIKeyAQUXBIDNWAFZLO-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.00
Rot. Bonds3

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

2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328628) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5328628
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCC(C)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C17H16Cl2N4O/c1-9(2)8-23-15-10(7-21-17(20)22-15)6-11(16(23)24)14-12(18)4-3-5-13(14)19/h3-7,9H,8H2,1-2H3,(H2,20,21,22)
InChIKeyAQUXBIDNWAFZLO-UHFFFAOYSA-N
XLogP4.00
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.00
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-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one (CID 5328628) is 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one is CC(C)Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is AQUXBIDNWAFZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-9(2)8-23-15-10(7-21-17(20)22-15)6-11(16(23)24)14-12(18)4-3-5-13(14)19/h3-7,9H,8H2,1-2H3,(H2,20,21,22).
What are the key properties of 2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-6-(2,6-dichlorophenyl)-8-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 363.25 g/mol, XLogP of 4.00, 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-(2-methylpropyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).