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

C17H16Cl2N4O — CID 5328627

IUPAC2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C17H16Cl2N4O/c1-2-3-7-23-15-10(9-21-17(20)22-15)8-11(16(23)24)14-12(18)5-4-6-13(14)19/h4-6,8-9H,2-3,7H2,1H3,(H2,20,21,22)
InChIKeyZRNVMCXGAZFVMN-UHFFFAOYSA-N
MW363.25 g/mol
LogP4.15
Rot. Bonds4

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

2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one (PubChem CID 5328627) has the molecular formula C17H16Cl2N4O and a molecular weight of 363.25 g/mol. Its IUPAC name is 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one
PubChem CID5328627
Molecular FormulaC17H16Cl2N4O
Molecular Weight363.25 g/mol
Exact Mass362.07
IUPAC Name2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one
SMILESCCCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21
InChIInChI=1S/C17H16Cl2N4O/c1-2-3-7-23-15-10(9-21-17(20)22-15)8-11(16(23)24)14-12(18)5-4-6-13(14)19/h4-6,8-9H,2-3,7H2,1H3,(H2,20,21,22)
InChIKeyZRNVMCXGAZFVMN-UHFFFAOYSA-N
XLogP4.15
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.25
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

PD-180970
CID 5311104
PD173955
CID 447077
(3-Chloro-4-fluorophenyl)(4-fluoro-4-((((5-methyl-2-pyrimidinyl)methyl)amino)methyl)-1-piperidinyl)methanone
CID 11741361
6-(2,6-dichlorophenyl)-8-methyl-2-(phenylamino)-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327885
2-amino-6-(2,6-dichlorophenyl)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327864
6-(2,6-Dichlorophenyl)-8-methyl-2-methylamino-8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327868
6-(2,6-dichlorophenyl)-2-(ethylamino)-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327869
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 23
CID 5327870
6-(2,6-dichlorophenyl)-2-[(2-hydroxyethyl)amino]-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327873
6-(2,6-dichlorophenyl)-2-{[3-(diethylamino)propyl]amino}-8-methyl-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327876
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(morpholin-4-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327877
6-(2,6-dichlorophenyl)-8-methyl-2-{[3-(4-methylpiperazin-1-yl)propyl]amino}-7H,8H-pyrido[2,3-d]pyrimidin-7-one
CID 5327878

Frequently Asked Questions

What is the IUPAC name of 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one (CID 5328627) is 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one is CCCCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(N)nc21.
What is the InChIKey of 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one?
The InChIKey is ZRNVMCXGAZFVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4O/c1-2-3-7-23-15-10(9-21-17(20)22-15)8-11(16(23)24)14-12(18)5-4-6-13(14)19/h4-6,8-9H,2-3,7H2,1H3,(H2,20,21,22).
What are the key properties of 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one?
2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 363.25 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-butyl-6-(2,6-dichlorophenyl)pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 5328627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).