N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C18H14BrN5 — CID 11773396

IUPACN-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Br)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C18H14BrN5/c1-12-5-6-14(19)10-15(12)22-18-21-11-13-7-9-24(17(13)23-18)16-4-2-3-8-20-16/h2-11H,1H3,(H,21,22,23)
InChIKeyISGWLGARRZAQJJ-UHFFFAOYSA-N
MW380.25 g/mol
LogP4.63
Rot. Bonds3

About N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11773396) has the molecular formula C18H14BrN5 and a molecular weight of 380.25 g/mol. Its IUPAC name is N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11773396
Molecular FormulaC18H14BrN5
Molecular Weight380.25 g/mol
Exact Mass379.04
IUPAC NameN-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCc1ccc(Br)cc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C18H14BrN5/c1-12-5-6-14(19)10-15(12)22-18-21-11-13-7-9-24(17(13)23-18)16-4-2-3-8-20-16/h2-11H,1H3,(H,21,22,23)
InChIKeyISGWLGARRZAQJJ-UHFFFAOYSA-N
XLogP4.63
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.25
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11773396) is N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is Cc1ccc(Br)cc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is ISGWLGARRZAQJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN5/c1-12-5-6-14(19)10-15(12)22-18-21-11-13-7-9-24(17(13)23-18)16-4-2-3-8-20-16/h2-11H,1H3,(H,21,22,23).
What are the key properties of N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 380.25 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-methylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11773396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).