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

C11H15BrN6O — CID 106411995

IUPAC5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCc2ncno2)c1Br
InChIInChI=1S/C11H15BrN6O/c1-2-4-13-10-9(12)11(17-6-16-10)14-5-3-8-15-7-18-19-8/h6-7H,2-5H2,1H3,(H2,13,14,16,17)
InChIKeyBVSKWIRTYMVIOY-UHFFFAOYSA-N
MW327.19 g/mol
LogP2.10
Rot. Bonds7

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

5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 106411995) has the molecular formula C11H15BrN6O and a molecular weight of 327.19 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID106411995
Molecular FormulaC11H15BrN6O
Molecular Weight327.19 g/mol
Exact Mass326.05
IUPAC Name5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1ncnc(NCCc2ncno2)c1Br
InChIInChI=1S/C11H15BrN6O/c1-2-4-13-10-9(12)11(17-6-16-10)14-5-3-8-15-7-18-19-8/h6-7H,2-5H2,1H3,(H2,13,14,16,17)
InChIKeyBVSKWIRTYMVIOY-UHFFFAOYSA-N
XLogP2.10
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.19
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106412113
6-hydrazinyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-5-propylpyrimidin-4-amine
CID 106412478
6-N,5-dimethyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-4,6-diamine
CID 106412081
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100
5-bromo-3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 103757218
5-bromo-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 114072281
5-bromo-3-fluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 104924719
5-bromo-4-N-(2-methylsulfonylethyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072014
6-chloro-5-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propylpyrimidin-4-amine
CID 106405598
5-bromo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300318
5-bromo-4-N-(2-methyl-2-methylsulfanylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 114072758
3-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]quinoxalin-2-amine
CID 103744317

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine (CID 106411995) is 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1ncnc(NCCc2ncno2)c1Br.
What is the InChIKey of 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is BVSKWIRTYMVIOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN6O/c1-2-4-13-10-9(12)11(17-6-16-10)14-5-3-8-15-7-18-19-8/h6-7H,2-5H2,1H3,(H2,13,14,16,17).
What are the key properties of 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine?
5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 327.19 g/mol, XLogP of 2.10, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 106411995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).