4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine

C14H13N3 — CID 58691728

IUPAC4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(c1ccccc1)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H13N3/c1-10(11-5-3-2-4-6-11)13-12-7-8-15-14(12)17-9-16-13/h2-10H,1H3,(H,15,16,17)
InChIKeyGFJOSSOCEDOMCS-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.11
Rot. Bonds2

About 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine

4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 58691728) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID58691728
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC(c1ccccc1)c1ncnc2[nH]ccc12
InChIInChI=1S/C14H13N3/c1-10(11-5-3-2-4-6-11)13-12-7-8-15-14(12)17-9-16-13/h2-10H,1H3,(H,15,16,17)
InChIKeyGFJOSSOCEDOMCS-UHFFFAOYSA-N
XLogP3.11
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine (CID 58691728) is 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine is CC(c1ccccc1)c1ncnc2[nH]ccc12.
What is the InChIKey of 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GFJOSSOCEDOMCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-10(11-5-3-2-4-6-11)13-12-7-8-15-14(12)17-9-16-13/h2-10H,1H3,(H,15,16,17).
What are the key properties of 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 223.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-phenylethyl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 58691728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).