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

C9H11BrN6O — CID 106424292

IUPAC5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2ncnc(N)c2Br)no1
InChIInChI=1S/C9H11BrN6O/c1-5-15-6(16-17-5)2-3-12-9-7(10)8(11)13-4-14-9/h4H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyPIAXWBTUECFXJV-UHFFFAOYSA-N
MW299.13 g/mol
LogP1.17
Rot. Bonds4

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

5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (PubChem CID 106424292) has the molecular formula C9H11BrN6O and a molecular weight of 299.13 g/mol. Its IUPAC name is 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
PubChem CID106424292
Molecular FormulaC9H11BrN6O
Molecular Weight299.13 g/mol
Exact Mass298.02
IUPAC Name5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
SMILESCc1nc(CCNc2ncnc(N)c2Br)no1
InChIInChI=1S/C9H11BrN6O/c1-5-15-6(16-17-5)2-3-12-9-7(10)8(11)13-4-14-9/h4H,2-3H2,1H3,(H3,11,12,13,14)
InChIKeyPIAXWBTUECFXJV-UHFFFAOYSA-N
XLogP1.17
TPSA102.75 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.13
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,5-diamine
CID 114185738
5-ethyl-6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424216
5-bromo-4-N-[2-(2-methylphenyl)ethyl]pyrimidine-4,6-diamine
CID 114072528
6-N-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propylpyrimidine-4,6-diamine
CID 106424218
6-N-ethyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 106424272
2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,3-diamine
CID 106413986
3,5-difluoro-6-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,6-diamine
CID 106424233
5-chloro-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-diamine
CID 106424263
4-methyl-2-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyridine-2,5-diamine
CID 106413974
6-hydrazinyl-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidin-4-amine
CID 106424681
4-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 114185482
2-tert-butyl-5-methyl-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106424191

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine (CID 106424292) is 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is Cc1nc(CCNc2ncnc(N)c2Br)no1.
What is the InChIKey of 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
The InChIKey is PIAXWBTUECFXJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrN6O/c1-5-15-6(16-17-5)2-3-12-9-7(10)8(11)13-4-14-9/h4H,2-3H2,1H3,(H3,11,12,13,14).
What are the key properties of 5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine?
5-bromo-4-N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine has a molecular weight of 299.13 g/mol, XLogP of 1.17, 4 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-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 106424292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).