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

C9H10BrN5O2 — CID 103746110

IUPAC5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCc2ncno2)ncc1Br
InChIInChI=1S/C9H10BrN5O2/c1-16-8-6(10)4-12-9(15-8)11-3-2-7-13-5-14-17-7/h4-5H,2-3H2,1H3,(H,11,12,15)
InChIKeyNQHPCZHNAFBXMH-UHFFFAOYSA-N
MW300.12 g/mol
LogP1.29
Rot. Bonds5

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

5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine (PubChem CID 103746110) has the molecular formula C9H10BrN5O2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
PubChem CID103746110
Molecular FormulaC9H10BrN5O2
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
SMILESCOc1nc(NCCc2ncno2)ncc1Br
InChIInChI=1S/C9H10BrN5O2/c1-16-8-6(10)4-12-9(15-8)11-3-2-7-13-5-14-17-7/h4-5H,2-3H2,1H3,(H,11,12,15)
InChIKeyNQHPCZHNAFBXMH-UHFFFAOYSA-N
XLogP1.29
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
6-methoxy-2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 114183079
5-bromo-4-methoxy-N-(4-methoxybutyl)pyrimidin-2-amine
CID 103745831
5-bromo-4-methoxy-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 103746080
5-methyl-4-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-N-propylpyrimidine-2,4-diamine
CID 106412100
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
5-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 106403802
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidine-2,4-diamine
CID 106411547
5-[(5-bromo-4-methoxypyrimidin-2-yl)amino]pentan-2-ol
CID 107269299
5-bromo-4-methoxy-N-(3-methylsulfanylbutyl)pyrimidin-2-amine
CID 106997923
2-[(5-bromo-4-methoxypyrimidin-2-yl)amino]-N-methylethanesulfonamide
CID 106337859
3-[(5-bromo-4-methoxypyrimidin-2-yl)amino]propane-1-sulfonamide
CID 106997682

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine (CID 103746110) is 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine is COc1nc(NCCc2ncno2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
The InChIKey is NQHPCZHNAFBXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2/c1-16-8-6(10)4-12-9(15-8)11-3-2-7-13-5-14-17-7/h4-5H,2-3H2,1H3,(H,11,12,15).
What are the key properties of 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine?
5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine has a molecular weight of 300.12 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 103746110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).