6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

C10H12ClN5O — CID 106405623

IUPAC6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCCc2ncno2)n1
InChIInChI=1S/C10H12ClN5O/c1-2-8-15-7(11)5-9(16-8)12-4-3-10-13-6-14-17-10/h5-6H,2-4H2,1H3,(H,12,15,16)
InChIKeyCHRKNWTYRRKHMX-UHFFFAOYSA-N
MW253.69 g/mol
LogP1.73
Rot. Bonds5

About 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine

6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (PubChem CID 106405623) has the molecular formula C10H12ClN5O and a molecular weight of 253.69 g/mol. Its IUPAC name is 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
PubChem CID106405623
Molecular FormulaC10H12ClN5O
Molecular Weight253.69 g/mol
Exact Mass253.07
IUPAC Name6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
SMILESCCc1nc(Cl)cc(NCCc2ncno2)n1
InChIInChI=1S/C10H12ClN5O/c1-2-8-15-7(11)5-9(16-8)12-4-3-10-13-6-14-17-10/h5-6H,2-4H2,1H3,(H,12,15,16)
InChIKeyCHRKNWTYRRKHMX-UHFFFAOYSA-N
XLogP1.73
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.69
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine
CID 103744300
2-(ethoxymethyl)-6-N-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106411986
6-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106405558
6-chloro-2-ethyl-N-(2-pyridin-2-ylethyl)pyrimidin-4-amine
CID 80943258
4-[(6-chloro-2-ethylpyrimidin-4-yl)amino]butan-1-ol
CID 106842944
6-bromo-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-ylpyrimidin-4-amine
CID 106405527
6-chloro-2-ethyl-N-[2-(2-fluorophenyl)ethyl]pyrimidin-4-amine
CID 80936245
4-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3-thiazol-2-amine
CID 103749995
3-[(6-chloro-2-ethylpyrimidin-4-yl)amino]propanamide
CID 80936690
2-[(6-chloro-2-ethylpyrimidin-4-yl)amino]ethanesulfonamide
CID 80936600
6-chloro-2-ethyl-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
CID 80935880
6-chloro-2-ethyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 80936355

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The IUPAC name of 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine (CID 106405623) is 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The canonical SMILES for 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is CCc1nc(Cl)cc(NCCc2ncno2)n1.
What is the InChIKey of 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
The InChIKey is CHRKNWTYRRKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5O/c1-2-8-15-7(11)5-9(16-8)12-4-3-10-13-6-14-17-10/h5-6H,2-4H2,1H3,(H,12,15,16).
What are the key properties of 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine?
6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine has a molecular weight of 253.69 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-4-amine is sourced from PubChem (CID 106405623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).