2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine

C11H14N6O — CID 114185577

IUPAC2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ncon2)nc(C2CC2)n1
InChIInChI=1S/C11H14N6O/c12-8-5-10(16-11(15-8)7-1-2-7)13-4-3-9-14-6-18-17-9/h5-7H,1-4H2,(H3,12,13,15,16)
InChIKeyGUOPHWDTKYBWOP-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.97
Rot. Bonds5

About 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine

2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 114185577) has the molecular formula C11H14N6O and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID114185577
Molecular FormulaC11H14N6O
Molecular Weight246.27 g/mol
Exact Mass246.12
IUPAC Name2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESNc1cc(NCCc2ncon2)nc(C2CC2)n1
InChIInChI=1S/C11H14N6O/c12-8-5-10(16-11(15-8)7-1-2-7)13-4-3-9-14-6-18-17-9/h5-7H,1-4H2,(H3,12,13,15,16)
InChIKeyGUOPHWDTKYBWOP-UHFFFAOYSA-N
XLogP0.97
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 114185577) is 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is Nc1cc(NCCc2ncon2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is GUOPHWDTKYBWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O/c12-8-5-10(16-11(15-8)7-1-2-7)13-4-3-9-14-6-18-17-9/h5-7H,1-4H2,(H3,12,13,15,16).
What are the key properties of 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 246.27 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114185577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).