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

C15H11BrN4O2S — CID 5329096

IUPACN-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine
SMILESC=CS(=O)(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H11BrN4O2S/c1-2-23(21,22)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)
InChIKeyBNVCHCSZEJOIPQ-UHFFFAOYSA-N
MW391.25 g/mol
LogP3.45
Rot. Bonds4

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

N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine (PubChem CID 5329096) has the molecular formula C15H11BrN4O2S and a molecular weight of 391.25 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine
PubChem CID5329096
Molecular FormulaC15H11BrN4O2S
Molecular Weight391.25 g/mol
Exact Mass389.98
IUPAC NameN-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine
SMILESC=CS(=O)(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1
InChIInChI=1S/C15H11BrN4O2S/c1-2-23(21,22)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)
InChIKeyBNVCHCSZEJOIPQ-UHFFFAOYSA-N
XLogP3.45
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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
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
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
4-Anilinopyrido[3,4-d]pyrimidine 36
CID 5329097
2-({4-[(3-Bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)ethane-1-sulfonic acid
CID 5328325
4-N-(3-bromophenyl)-6-N-[3-(dimethylamino)propyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328355
4-N-(3-bromophenyl)-6-N-[4-(dimethylamino)butyl]pyrido[3,4-d]pyrimidine-4,6-diamine
CID 5328356

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine (CID 5329096) is N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine is C=CS(=O)(=O)c1cc2c(Nc3cccc(Br)c3)ncnc2cn1.
What is the InChIKey of N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine?
The InChIKey is BNVCHCSZEJOIPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN4O2S/c1-2-23(21,22)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-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine?
N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine has a molecular weight of 391.25 g/mol, XLogP of 3.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-ethenylsulfonylpyrido[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 5329096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).