N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine

C19H17N5 — CID 11209256

IUPACN-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C19H17N5/c1-2-14-7-3-4-8-16(14)22-19-21-13-15-10-12-24(18(15)23-19)17-9-5-6-11-20-17/h3-13H,2H2,1H3,(H,21,22,23)
InChIKeyPIXPYTQYQZVSMH-UHFFFAOYSA-N
MW315.38 g/mol
LogP4.12
Rot. Bonds4

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

N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 11209256) has the molecular formula C19H17N5 and a molecular weight of 315.38 g/mol. Its IUPAC name is N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID11209256
Molecular FormulaC19H17N5
Molecular Weight315.38 g/mol
Exact Mass315.15
IUPAC NameN-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
SMILESCCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1
InChIInChI=1S/C19H17N5/c1-2-14-7-3-4-8-16(14)22-19-21-13-15-10-12-24(18(15)23-19)17-9-5-6-11-20-17/h3-13H,2H2,1H3,(H,21,22,23)
InChIKeyPIXPYTQYQZVSMH-UHFFFAOYSA-N
XLogP4.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine (CID 11209256) is N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is CCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1.
What is the InChIKey of N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is PIXPYTQYQZVSMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5/c1-2-14-7-3-4-8-16(14)22-19-21-13-15-10-12-24(18(15)23-19)17-9-5-6-11-20-17/h3-13H,2H2,1H3,(H,21,22,23).
What are the key properties of N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine?
N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 315.38 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 11209256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).