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

C13H10BrClN4 — CID 23282803

IUPAC6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3[nH]c(CBr)cc23)c1
InChIInChI=1S/C13H10BrClN4/c14-6-10-5-11-12(16-7-17-13(11)19-10)18-9-3-1-2-8(15)4-9/h1-5,7H,6H2,(H2,16,17,18,19)
InChIKeyRHWWAIDIUZKYKK-UHFFFAOYSA-N
MW337.61 g/mol
LogP4.25
Rot. Bonds3

About 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 23282803) has the molecular formula C13H10BrClN4 and a molecular weight of 337.61 g/mol. Its IUPAC name is 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID23282803
Molecular FormulaC13H10BrClN4
Molecular Weight337.61 g/mol
Exact Mass335.98
IUPAC Name6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESClc1cccc(Nc2ncnc3[nH]c(CBr)cc23)c1
InChIInChI=1S/C13H10BrClN4/c14-6-10-5-11-12(16-7-17-13(11)19-10)18-9-3-1-2-8(15)4-9/h1-5,7H,6H2,(H2,16,17,18,19)
InChIKeyRHWWAIDIUZKYKK-UHFFFAOYSA-N
XLogP4.25
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.61
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-amino-3-[4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]pentane-1,5-diol
CID 21262649
N-(3-chlorophenyl)-6-[4-(ethylamino)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 23282737
8-chloro-N-(3-chlorophenyl)quinazolin-4-amine;hydrochloride
CID 12806772
7-chloro-N-(3-chlorophenyl)quinazolin-4-amine
CID 1475054
6-bromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 720635
4-N-(3-chlorophenyl)quinazoline-4,7-diamine
CID 5328193
6-N-(3-chlorophenyl)-4-N-(3,5-dichlorophenyl)pyrimidine-4,5,6-triamine
CID 22544979
4-(3-chloroanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxamide;pyrimidine
CID 174340828
4-N-(3-chlorophenyl)-6-N-(3-methylphenyl)pyrimidine-4,5,6-triamine
CID 19148233
6,8-dibromo-N-(3-chlorophenyl)quinazolin-4-amine
CID 23941005
N-(3-chlorophenyl)pyrido[4,3-d]pyrimidin-4-amine
CID 22460895
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 23282803) is 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Clc1cccc(Nc2ncnc3[nH]c(CBr)cc23)c1.
What is the InChIKey of 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RHWWAIDIUZKYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4/c14-6-10-5-11-12(16-7-17-13(11)19-10)18-9-3-1-2-8(15)4-9/h1-5,7H,6H2,(H2,16,17,18,19).
What are the key properties of 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 337.61 g/mol, XLogP of 4.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-N-(3-chlorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 23282803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).