6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine

C10H14N6O2 — CID 114183130

IUPAC6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
SMILESCCOc1ncnc(NCCc2ncon2)c1N
InChIInChI=1S/C10H14N6O2/c1-2-17-10-8(11)9(13-5-14-10)12-4-3-7-15-6-18-16-7/h5-6H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyXRIZIOHUQNQJRM-UHFFFAOYSA-N
MW250.26 g/mol
LogP0.50
Rot. Bonds6

About 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine

6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine (PubChem CID 114183130) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
PubChem CID114183130
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
SMILESCCOc1ncnc(NCCc2ncon2)c1N
InChIInChI=1S/C10H14N6O2/c1-2-17-10-8(11)9(13-5-14-10)12-4-3-7-15-6-18-16-7/h5-6H,2-4,11H2,1H3,(H,12,13,14)
InChIKeyXRIZIOHUQNQJRM-UHFFFAOYSA-N
XLogP0.50
TPSA111.98 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

6-methoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 106394063
6-ethoxy-4-N-ethylpyrimidine-4,5-diamine
CID 19135293
4-methyl-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106394129
6-chloro-5-methoxy-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106405714
5-bromo-6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106412553
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidin-4-amine
CID 106412550
ethyl 5-amino-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]pyridine-3-carboxylate
CID 106407447
6-ethoxy-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 106412361
4-N-(2,2-dimethylbutyl)-6-ethoxypyrimidine-4,5-diamine
CID 103460119
5-nitro-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106412327
3-bromo-2-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106394058
3-[2-[(5-amino-6-ethoxypyrimidin-4-yl)amino]ethylsulfanyl]propan-1-ol
CID 114171712

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
The IUPAC name of 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine (CID 114183130) is 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine.
What is the SMILES notation for 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
The canonical SMILES for 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine is CCOc1ncnc(NCCc2ncon2)c1N.
What is the InChIKey of 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
The InChIKey is XRIZIOHUQNQJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-17-10-8(11)9(13-5-14-10)12-4-3-7-15-6-18-16-7/h5-6H,2-4,11H2,1H3,(H,12,13,14).
What are the key properties of 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine?
6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine has a molecular weight of 250.26 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine is sourced from PubChem (CID 114183130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).