8-(4-cyclopropylphenyl)-7H-purine

C14H12N4 — CID 167906113

IUPAC8-(4-cyclopropylphenyl)-7H-purine
SMILESc1ncc2[nH]c(-c3ccc(C4CC4)cc3)nc2n1
InChIInChI=1S/C14H12N4/c1-2-9(1)10-3-5-11(6-4-10)13-17-12-7-15-8-16-14(12)18-13/h3-9H,1-2H2,(H,15,16,17,18)
InChIKeyPTAINMFCWZFWBA-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.90
Rot. Bonds2

About 8-(4-cyclopropylphenyl)-7H-purine

8-(4-cyclopropylphenyl)-7H-purine (PubChem CID 167906113) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 8-(4-cyclopropylphenyl)-7H-purine.

Molecular Properties

Compound Name8-(4-cyclopropylphenyl)-7H-purine
PubChem CID167906113
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name8-(4-cyclopropylphenyl)-7H-purine
SMILESc1ncc2[nH]c(-c3ccc(C4CC4)cc3)nc2n1
InChIInChI=1S/C14H12N4/c1-2-9(1)10-3-5-11(6-4-10)13-17-12-7-15-8-16-14(12)18-13/h3-9H,1-2H2,(H,15,16,17,18)
InChIKeyPTAINMFCWZFWBA-UHFFFAOYSA-N
XLogP2.90
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-(4-cyclopropylphenyl)-7H-purine?
The IUPAC name of 8-(4-cyclopropylphenyl)-7H-purine (CID 167906113) is 8-(4-cyclopropylphenyl)-7H-purine.
What is the SMILES notation for 8-(4-cyclopropylphenyl)-7H-purine?
The canonical SMILES for 8-(4-cyclopropylphenyl)-7H-purine is c1ncc2[nH]c(-c3ccc(C4CC4)cc3)nc2n1.
What is the InChIKey of 8-(4-cyclopropylphenyl)-7H-purine?
The InChIKey is PTAINMFCWZFWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c1-2-9(1)10-3-5-11(6-4-10)13-17-12-7-15-8-16-14(12)18-13/h3-9H,1-2H2,(H,15,16,17,18).
What are the key properties of 8-(4-cyclopropylphenyl)-7H-purine?
8-(4-cyclopropylphenyl)-7H-purine has a molecular weight of 236.28 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(4-cyclopropylphenyl)-7H-purine is sourced from PubChem (CID 167906113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).