4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine

C6H5BrN4 — CID 83680827

IUPAC4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine
SMILESNc1c[nH]c2c(Br)ncnc12
InChIInChI=1S/C6H5BrN4/c7-6-5-4(10-2-11-6)3(8)1-9-5/h1-2,9H,8H2
InChIKeyQELMLDAEJPDQAM-UHFFFAOYSA-N
MW213.04 g/mol
LogP1.30
Rot. Bonds

About 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine

4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine (PubChem CID 83680827) has the molecular formula C6H5BrN4 and a molecular weight of 213.04 g/mol. Its IUPAC name is 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine.

Molecular Properties

Compound Name4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine
PubChem CID83680827
Molecular FormulaC6H5BrN4
Molecular Weight213.04 g/mol
Exact Mass211.97
IUPAC Name4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine
SMILESNc1c[nH]c2c(Br)ncnc12
InChIInChI=1S/C6H5BrN4/c7-6-5-4(10-2-11-6)3(8)1-9-5/h1-2,9H,8H2
InChIKeyQELMLDAEJPDQAM-UHFFFAOYSA-N
XLogP1.30
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.04
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-6-bromo-1H-pyrrolo[3,2-b]pyridine-7-carboxylic acid
CID 74890109
3,7-dibromo-2H-pyrazolo[4,3-d]pyrimidine
CID 170900189
5,6-dibromopyrimidin-4-amine
CID 130067671
3-amino-6-bromo-1,4-dihydropyrrolo[3,2-b]pyridin-7-one
CID 74891981
(2R,3R,4S,5S)-5-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-4-bromo-2-(hydroxymethyl)oxolan-3-ol
CID 5274102
4-ethyl-7-methyl-5H-pyrrolo[3,2-d]pyrimidine
CID 123540887
7-(aminomethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-amine;2-methylpentane
CID 144902716
1-(7-bromo-[1,2]thiazolo[4,3-d]pyrimidin-3-yl)ethanamine
CID 82380283
8-bromopyrido[3,2-d]pyrimidin-4-amine
CID 172552100
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-methylpyrrolidin-3-ol
CID 169188122
(2S,3R,5R)-2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-(hydroxymethyl)pyrrolidine-3,4-diol
CID 58682811
2-(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl)-5-ethylpyrrolidine-3,4-diol
CID 21044337

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine?
The IUPAC name of 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine (CID 83680827) is 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine.
What is the SMILES notation for 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine?
The canonical SMILES for 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine is Nc1c[nH]c2c(Br)ncnc12.
What is the InChIKey of 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine?
The InChIKey is QELMLDAEJPDQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5BrN4/c7-6-5-4(10-2-11-6)3(8)1-9-5/h1-2,9H,8H2.
What are the key properties of 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine?
4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine has a molecular weight of 213.04 g/mol, XLogP of 1.30, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5H-pyrrolo[3,2-d]pyrimidin-7-amine is sourced from PubChem (CID 83680827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).