6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine

C14H18N6 — CID 156513442

IUPAC6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine
SMILESCC(C)c1nc(-c2cn[nH]c2)nc2c1ncn2C(C)C
InChIInChI=1S/C14H18N6/c1-8(2)11-12-14(20(7-15-12)9(3)4)19-13(18-11)10-5-16-17-6-10/h5-9H,1-4H3,(H,16,17)
InChIKeyJJMSURDGDRJNNC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.92
Rot. Bonds3

About 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine

6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine (PubChem CID 156513442) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine.

Molecular Properties

Compound Name6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine
PubChem CID156513442
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine
SMILESCC(C)c1nc(-c2cn[nH]c2)nc2c1ncn2C(C)C
InChIInChI=1S/C14H18N6/c1-8(2)11-12-14(20(7-15-12)9(3)4)19-13(18-11)10-5-16-17-6-10/h5-9H,1-4H3,(H,16,17)
InChIKeyJJMSURDGDRJNNC-UHFFFAOYSA-N
XLogP2.92
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine?
The IUPAC name of 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine (CID 156513442) is 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine.
What is the SMILES notation for 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine?
The canonical SMILES for 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine is CC(C)c1nc(-c2cn[nH]c2)nc2c1ncn2C(C)C.
What is the InChIKey of 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine?
The InChIKey is JJMSURDGDRJNNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6/c1-8(2)11-12-14(20(7-15-12)9(3)4)19-13(18-11)10-5-16-17-6-10/h5-9H,1-4H3,(H,16,17).
What are the key properties of 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine?
6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine has a molecular weight of 270.34 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9-di(propan-2-yl)-2-(1H-pyrazol-4-yl)purine is sourced from PubChem (CID 156513442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).