N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine

C15H11BrN4OS — CID 5329097

IUPACN-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine
SMILESC=CS(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H11BrN4OS/c1-2-22(21)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,19,20)
InChIKeyUIYHGNBEHXNFBN-UHFFFAOYSA-N
MW375.25 g/mol
LogP3.78
Rot. Bonds4

About N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine

N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 5329097) has the molecular formula C15H11BrN4OS and a molecular weight of 375.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID5329097
Molecular FormulaC15H11BrN4OS
Molecular Weight375.25 g/mol
Exact Mass373.98
IUPAC NameN-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine
SMILESC=CS(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H11BrN4OS/c1-2-22(21)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,19,20)
InChIKeyUIYHGNBEHXNFBN-UHFFFAOYSA-N
XLogP3.78
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pd 158780
CID 4707
4-N-(3-bromophenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328258
4-N-(3-bromophenyl)-6-N,6-N-dimethylpyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328261
N-{4-[(3-bromophenyl)amino]pyrido[3,4-d]pyrimidin-6-yl}ethene-1-sulfonamide
CID 5329093
4-Anilinopyrido[3,4-d]pyrimidine 35
CID 5329096
N-(3-bromophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 5328249
N-(3-bromophenyl)pyrido[3,4-d]pyrimidin-4-amine
CID 5328257
N-(3-bromophenyl)-6-fluoropyrido[3,4-d]pyrimidin-4-amine
CID 5328260
N-(3-bromophenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 5328273
7-Amino-4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidine
CID 382059
4-[(3-Bromophenyl)amino]-6-[[2-(dimethylamino)-ethyl]amino]pyrido[3,4-d]pyrimidine
CID 5328354
4-Anilinopyrido[3,4-d]pyrimidine 34
CID 5329095

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine (CID 5329097) is N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine is C=CS(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1.
What is the InChIKey of N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is UIYHGNBEHXNFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4OS/c1-2-22(21)14-7-12-13(8-17-14)18-9-19-15(12)20-11-5-3-4-10(16)6-11/h2-9H,1H2,(H,18,19,20).
What are the key properties of N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine?
N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 375.25 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-ethenylsulfinylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5329097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).