N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C14H13BrN4 — CID 10615400

IUPACN-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
InChIInChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyFCNOOCZWZIUGIT-UHFFFAOYSA-N
MW317.19 g/mol
LogP4.08
Rot. Bonds2

About N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10615400) has the molecular formula C14H13BrN4 and a molecular weight of 317.19 g/mol. Its IUPAC name is N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10615400
Molecular FormulaC14H13BrN4
Molecular Weight317.19 g/mol
Exact Mass316.03
IUPAC NameN-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C
InChIInChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19)
InChIKeyFCNOOCZWZIUGIT-UHFFFAOYSA-N
XLogP4.08
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10615400) is N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C.
What is the InChIKey of N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is FCNOOCZWZIUGIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13BrN4/c1-8-9(2)18-13-12(8)14(17-7-16-13)19-11-5-3-4-10(15)6-11/h3-7H,1-2H3,(H2,16,17,18,19).
What are the key properties of N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 317.19 g/mol, XLogP of 4.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10615400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).