6-(3-bromophenyl)pteridine-2,4,7-triamine

C12H10BrN7 — CID 118987043

IUPAC6-(3-bromophenyl)pteridine-2,4,7-triamine
SMILESNc1nc(N)c2nc(-c3cccc(Br)c3)c(N)nc2n1
InChIInChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
InChIKeyUWFFWZGQGRBIBG-UHFFFAOYSA-N
MW332.17 g/mol
LogP1.60
Rot. Bonds1

About 6-(3-bromophenyl)pteridine-2,4,7-triamine

6-(3-bromophenyl)pteridine-2,4,7-triamine (PubChem CID 118987043) has the molecular formula C12H10BrN7 and a molecular weight of 332.17 g/mol. Its IUPAC name is 6-(3-bromophenyl)pteridine-2,4,7-triamine.

Molecular Properties

Compound Name6-(3-bromophenyl)pteridine-2,4,7-triamine
PubChem CID118987043
Molecular FormulaC12H10BrN7
Molecular Weight332.17 g/mol
Exact Mass331.02
IUPAC Name6-(3-bromophenyl)pteridine-2,4,7-triamine
SMILESNc1nc(N)c2nc(-c3cccc(Br)c3)c(N)nc2n1
InChIInChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20)
InChIKeyUWFFWZGQGRBIBG-UHFFFAOYSA-N
XLogP1.60
TPSA129.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[2,4-diamino-7-(3-hydroxyphenyl)pteridin-6-yl]phenol;dihydrochloride
CID 18455700
6-(3,4-dimethylphenyl)pteridine-2,4,7-triamine
CID 125484319
5-(3-bromophenyl)-6-methylpyrimidine-2,4-diamine
CID 69080351
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 53354729
3-(3-bromophenyl)-6-phenyl-1,2,4-triazin-5-amine
CID 6403257
6-(3-bromophenyl)-5-phenyl-1,2,4-triazin-3-amine
CID 159353991
4-(3-bromophenyl)-5-fluoropyrimidin-2-amine
CID 115504031
4-(3-bromophenyl)-6-methoxypyrido[3,2-d]pyrimidin-2-amine
CID 54557881
4-phenylpteridine-2,6,7-triamine
CID 119087986
4-(3-bromophenyl)-2-chloro-1,3-thiazol-5-amine
CID 84814748
4-Hydroxy triamterene sulfate potassium salt
CID 169442251
5-(3-bromophenyl)-1H-1,2,4-triazol-3-amine
CID 3734662

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)pteridine-2,4,7-triamine?
The IUPAC name of 6-(3-bromophenyl)pteridine-2,4,7-triamine (CID 118987043) is 6-(3-bromophenyl)pteridine-2,4,7-triamine.
What is the SMILES notation for 6-(3-bromophenyl)pteridine-2,4,7-triamine?
The canonical SMILES for 6-(3-bromophenyl)pteridine-2,4,7-triamine is Nc1nc(N)c2nc(-c3cccc(Br)c3)c(N)nc2n1.
What is the InChIKey of 6-(3-bromophenyl)pteridine-2,4,7-triamine?
The InChIKey is UWFFWZGQGRBIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN7/c13-6-3-1-2-5(4-6)7-9(14)18-11-8(17-7)10(15)19-12(16)20-11/h1-4H,(H6,14,15,16,18,19,20).
What are the key properties of 6-(3-bromophenyl)pteridine-2,4,7-triamine?
6-(3-bromophenyl)pteridine-2,4,7-triamine has a molecular weight of 332.17 g/mol, XLogP of 1.60, 1 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)pteridine-2,4,7-triamine is sourced from PubChem (CID 118987043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).