[7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium

C16H17BrN5O2+ — CID 78225434

IUPAC[7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium
SMILESCn1c(=O)c2c(-c3ccccc3Br)c(C[NH3+])c(N)nc2n(C)c1=O
InChIInChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)/p+1
InChIKeyJGBNONXELAWFNR-UHFFFAOYSA-O
MW391.25 g/mol
LogP0.39
Rot. Bonds2

About [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium

[7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium (PubChem CID 78225434) has the molecular formula C16H17BrN5O2+ and a molecular weight of 391.25 g/mol. Its IUPAC name is [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium.

Molecular Properties

Compound Name[7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium
PubChem CID78225434
Molecular FormulaC16H17BrN5O2+
Molecular Weight391.25 g/mol
Exact Mass390.06
IUPAC Name[7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium
SMILESCn1c(=O)c2c(-c3ccccc3Br)c(C[NH3+])c(N)nc2n(C)c1=O
InChIInChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)/p+1
InChIKeyJGBNONXELAWFNR-UHFFFAOYSA-O
XLogP0.39
TPSA110.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.25
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium with MolForge

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Related Compounds

7-Amino-6-(Aminomethyl)-5-(2-Bromophenyl)-1,3-Dimethylpyrido[2,3-D]pyrimidine-2,4(1h,3h)-Dione
CID 11632502
7-Amino-6-(aminomethyl)-5-(2-chloro-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11516085
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
2-[7-Amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile
CID 11544575
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11547698
7-Amino-6-(aminomethyl)-5-(4-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581890
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(methylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11589872
7-Amino-6-(aminomethyl)-5-(2-chlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11595401
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11597271
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-morpholinopyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 11605368
7-Amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11640120
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(diethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11719625

Frequently Asked Questions

What is the IUPAC name of [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium?
The IUPAC name of [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium (CID 78225434) is [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium.
What is the SMILES notation for [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium?
The canonical SMILES for [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium is Cn1c(=O)c2c(-c3ccccc3Br)c(C[NH3+])c(N)nc2n(C)c1=O.
What is the InChIKey of [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium?
The InChIKey is JGBNONXELAWFNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H16BrN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(9(7-18)13(19)20-14)8-5-3-4-6-10(8)17/h3-6H,7,18H2,1-2H3,(H2,19,20)/p+1.
What are the key properties of [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium?
[7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium has a molecular weight of 391.25 g/mol, XLogP of 0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [7-amino-5-(2-bromophenyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-6-yl]methylazanium is sourced from PubChem (CID 78225434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).