4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile

C11H13N7O — CID 131921036

IUPAC4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCCc1noc(CCNc2ncc(C#N)c(N)n2)n1
InChIInChI=1S/C11H13N7O/c1-2-8-16-9(19-18-8)3-4-14-11-15-6-7(5-12)10(13)17-11/h6H,2-4H2,1H3,(H3,13,14,15,17)
InChIKeyOAPOMCIXDPGNBP-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.53
Rot. Bonds5

About 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile

4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile (PubChem CID 131921036) has the molecular formula C11H13N7O and a molecular weight of 259.27 g/mol. Its IUPAC name is 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile
PubChem CID131921036
Molecular FormulaC11H13N7O
Molecular Weight259.27 g/mol
Exact Mass259.12
IUPAC Name4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile
SMILESCCc1noc(CCNc2ncc(C#N)c(N)n2)n1
InChIInChI=1S/C11H13N7O/c1-2-8-16-9(19-18-8)3-4-14-11-15-6-7(5-12)10(13)17-11/h6H,2-4H2,1H3,(H3,13,14,15,17)
InChIKeyOAPOMCIXDPGNBP-UHFFFAOYSA-N
XLogP0.53
TPSA126.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile (CID 131921036) is 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile is CCc1noc(CCNc2ncc(C#N)c(N)n2)n1.
What is the InChIKey of 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile?
The InChIKey is OAPOMCIXDPGNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N7O/c1-2-8-16-9(19-18-8)3-4-14-11-15-6-7(5-12)10(13)17-11/h6H,2-4H2,1H3,(H3,13,14,15,17).
What are the key properties of 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile?
4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile has a molecular weight of 259.27 g/mol, XLogP of 0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(3-ethyl-1,2,4-oxadiazol-5-yl)ethylamino]pyrimidine-5-carbonitrile is sourced from PubChem (CID 131921036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).