6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine

C12H18N4 — CID 58110857

IUPAC6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESC=C1N=Cc2c(n[nH]c2C(C)C)N1C(C)C
InChIInChI=1S/C12H18N4/c1-7(2)11-10-6-13-9(5)16(8(3)4)12(10)15-14-11/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyQLCWYJJRLMPRGG-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.65
Rot. Bonds2

About 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine

6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine (PubChem CID 58110857) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine.

Molecular Properties

Compound Name6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine
PubChem CID58110857
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine
SMILESC=C1N=Cc2c(n[nH]c2C(C)C)N1C(C)C
InChIInChI=1S/C12H18N4/c1-7(2)11-10-6-13-9(5)16(8(3)4)12(10)15-14-11/h6-8H,5H2,1-4H3,(H,14,15)
InChIKeyQLCWYJJRLMPRGG-UHFFFAOYSA-N
XLogP2.65
TPSA44.28 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine?
The IUPAC name of 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine (CID 58110857) is 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine.
What is the SMILES notation for 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine?
The canonical SMILES for 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine is C=C1N=Cc2c(n[nH]c2C(C)C)N1C(C)C.
What is the InChIKey of 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine?
The InChIKey is QLCWYJJRLMPRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-7(2)11-10-6-13-9(5)16(8(3)4)12(10)15-14-11/h6-8H,5H2,1-4H3,(H,14,15).
What are the key properties of 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine?
6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine has a molecular weight of 218.30 g/mol, XLogP of 2.65, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3,7-di(propan-2-yl)-2H-pyrazolo[3,4-d]pyrimidine is sourced from PubChem (CID 58110857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).