N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C12H9BrN4 — CID 110875100

IUPACN-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESBrc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C12H9BrN4/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17)
InChIKeyHZDGFXPWEVQYFJ-UHFFFAOYSA-N
MW289.14 g/mol
LogP3.46
Rot. Bonds2

About N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875100) has the molecular formula C12H9BrN4 and a molecular weight of 289.14 g/mol. Its IUPAC name is N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875100
Molecular FormulaC12H9BrN4
Molecular Weight289.14 g/mol
Exact Mass288.00
IUPAC NameN-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESBrc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C12H9BrN4/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17)
InChIKeyHZDGFXPWEVQYFJ-UHFFFAOYSA-N
XLogP3.46
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.14
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 174669328
N-(2,3-dihydro-1H-inden-5-yl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10198864
4-N-(4-bromophenyl)-6-N-(4-fluorophenyl)pyrimidine-4,5,6-triamine
CID 19148779
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
N-[4-(2,4-dichlorophenoxy)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 166464576
6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-3H-1,3-benzothiazol-2-one
CID 73442185
N-(4-bromophenyl)pyrido[2,3-d]pyrimidin-4-amine
CID 110435165
1-N-[2-(1H-indol-3-yl)ethyl]-4-N-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)benzene-1,4-diamine
CID 59555595
N-(4-bromophenyl)-5,6-dimethylpyrimidin-4-amine
CID 13121229
N-(2,3,4-trifluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110875231
6-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)-3H-isoindole-1-carbonitrile
CID 161103654
6-N-(4-bromophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544983

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110875100) is N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Brc1ccc(Nc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is HZDGFXPWEVQYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrN4/c13-8-1-3-9(4-2-8)17-12-10-5-6-14-11(10)15-7-16-12/h1-7H,(H2,14,15,16,17).
What are the key properties of N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 289.14 g/mol, XLogP of 3.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).