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

C11H16N6O — CID 106412113

IUPAC4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCc1ncno1
InChIInChI=1S/C11H16N6O/c1-2-3-8-10(12)15-6-16-11(8)13-5-4-9-14-7-17-18-9/h6-7H,2-5H2,1H3,(H3,12,13,15,16)
InChIKeyQGSBAUZVLBVIBQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.05
Rot. Bonds6

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

4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine (PubChem CID 106412113) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
PubChem CID106412113
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1NCCc1ncno1
InChIInChI=1S/C11H16N6O/c1-2-3-8-10(12)15-6-16-11(8)13-5-4-9-14-7-17-18-9/h6-7H,2-5H2,1H3,(H3,12,13,15,16)
InChIKeyQGSBAUZVLBVIBQ-UHFFFAOYSA-N
XLogP1.05
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
CID 106411995
4-N-(2-methylsulfanylethyl)-5-propylpyrimidine-4,6-diamine
CID 80838235
4-N-(2-methoxyethyl)-5-propylpyrimidine-4,6-diamine
CID 80765819
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
4-N-(2-propan-2-yloxyethyl)-5-propylpyrimidine-4,6-diamine
CID 113450992
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,3-diamine
CID 106393561
5-propyl-4-N-[2-(1,3-thiazol-4-yl)ethyl]pyrimidine-4,6-diamine
CID 80846566
4-N-[2-(dimethylamino)propyl]-5-propylpyrimidine-4,6-diamine
CID 80820218
4-N-(2-cyclohexylethyl)-5-propylpyrimidine-4,6-diamine
CID 80790459
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598
3-[[(6-amino-5-propylpyrimidin-4-yl)amino]methyl]pentan-1-ol
CID 80852382

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine (CID 106412113) is 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1NCCc1ncno1.
What is the InChIKey of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
The InChIKey is QGSBAUZVLBVIBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-2-3-8-10(12)15-6-16-11(8)13-5-4-9-14-7-17-18-9/h6-7H,2-5H2,1H3,(H3,12,13,15,16).
What are the key properties of 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine?
4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine has a molecular weight of 248.29 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106412113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).