7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C14H11BrCl2N4 — CID 43337046

IUPAC7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2c(Cl)cc(Br)cc2Cl)c2ncnc(N)c12
InChIInChI=1S/C14H11BrCl2N4/c1-6-7(2)21(14-11(6)13(18)19-5-20-14)12-9(16)3-8(15)4-10(12)17/h3-5H,1-2H3,(H2,18,19,20)
InChIKeyUKRLCCWTXBIUOQ-UHFFFAOYSA-N
MW386.08 g/mol
LogP4.69
Rot. Bonds1

About 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43337046) has the molecular formula C14H11BrCl2N4 and a molecular weight of 386.08 g/mol. Its IUPAC name is 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43337046
Molecular FormulaC14H11BrCl2N4
Molecular Weight386.08 g/mol
Exact Mass383.95
IUPAC Name7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(-c2c(Cl)cc(Br)cc2Cl)c2ncnc(N)c12
InChIInChI=1S/C14H11BrCl2N4/c1-6-7(2)21(14-11(6)13(18)19-5-20-14)12-9(16)3-8(15)4-10(12)17/h3-5H,1-2H3,(H2,18,19,20)
InChIKeyUKRLCCWTXBIUOQ-UHFFFAOYSA-N
XLogP4.69
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.08
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5,6-dimethyl-7-(2,4,5-trichlorophenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 23335315
7-(4-bromo-3-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43159231
7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337037
7-(4-bromo-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 82859088
7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336950
5,6-dimethyl-7-(1-methylpyrazol-3-yl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 79778728
7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 4962416
7-(4-fluoro-3-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 114840511
1-[1-(4-bromo-2,6-dichlorophenyl)-2,3,6-trimethylpyrrolo[2,3-b]pyridin-4-yl]piperidine-4-carbonitrile
CID 67103779
7-(2,3-dimethylbutyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 64597836
5,6-dimethyl-7-[2-(3-methylphenyl)ethyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62314662
7-(4-bromophenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336972

Frequently Asked Questions

What is the IUPAC name of 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43337046) is 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(-c2c(Cl)cc(Br)cc2Cl)c2ncnc(N)c12.
What is the InChIKey of 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UKRLCCWTXBIUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrCl2N4/c1-6-7(2)21(14-11(6)13(18)19-5-20-14)12-9(16)3-8(15)4-10(12)17/h3-5H,1-2H3,(H2,18,19,20).
What are the key properties of 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 386.08 g/mol, XLogP of 4.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-bromo-2,6-dichlorophenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43337046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).