5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine

C9H12N6O — CID 141455459

IUPAC5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
SMILESCC(C)c1nnc(-c2c(N)ncnc2N)o1
InChIInChI=1S/C9H12N6O/c1-4(2)8-14-15-9(16-8)5-6(10)12-3-13-7(5)11/h3-4H,1-2H3,(H4,10,11,12,13)
InChIKeyVBYKNCSIGFYOBN-UHFFFAOYSA-N
MW220.24 g/mol
LogP0.81
Rot. Bonds2

About 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine

5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine (PubChem CID 141455459) has the molecular formula C9H12N6O and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
PubChem CID141455459
Molecular FormulaC9H12N6O
Molecular Weight220.24 g/mol
Exact Mass220.11
IUPAC Name5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine
SMILESCC(C)c1nnc(-c2c(N)ncnc2N)o1
InChIInChI=1S/C9H12N6O/c1-4(2)8-14-15-9(16-8)5-6(10)12-3-13-7(5)11/h3-4H,1-2H3,(H4,10,11,12,13)
InChIKeyVBYKNCSIGFYOBN-UHFFFAOYSA-N
XLogP0.81
TPSA116.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The IUPAC name of 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine (CID 141455459) is 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine is CC(C)c1nnc(-c2c(N)ncnc2N)o1.
What is the InChIKey of 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
The InChIKey is VBYKNCSIGFYOBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6O/c1-4(2)8-14-15-9(16-8)5-6(10)12-3-13-7(5)11/h3-4H,1-2H3,(H4,10,11,12,13).
What are the key properties of 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine?
5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine has a molecular weight of 220.24 g/mol, XLogP of 0.81, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 141455459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).