5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

C9H10BrN5O2 — CID 103746007

IUPAC5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESCOc1nc(NCc2noc(C)n2)ncc1Br
InChIInChI=1S/C9H10BrN5O2/c1-5-13-7(15-17-5)4-12-9-11-3-6(10)8(14-9)16-2/h3H,4H2,1-2H3,(H,11,12,14)
InChIKeyQKHCANRUCMLMTB-UHFFFAOYSA-N
MW300.12 g/mol
LogP1.55
Rot. Bonds4

About 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine

5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (PubChem CID 103746007) has the molecular formula C9H10BrN5O2 and a molecular weight of 300.12 g/mol. Its IUPAC name is 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
PubChem CID103746007
Molecular FormulaC9H10BrN5O2
Molecular Weight300.12 g/mol
Exact Mass299.00
IUPAC Name5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine
SMILESCOc1nc(NCc2noc(C)n2)ncc1Br
InChIInChI=1S/C9H10BrN5O2/c1-5-13-7(15-17-5)4-12-9-11-3-6(10)8(14-9)16-2/h3H,4H2,1-2H3,(H,11,12,14)
InChIKeyQKHCANRUCMLMTB-UHFFFAOYSA-N
XLogP1.55
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.12
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-bromo-5-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyridin-2-amine
CID 106402597
5-bromo-4-methoxy-N-(2-methoxyethyl)pyrimidin-2-amine
CID 103726573
5-bromo-4-methoxy-N-[(2-methoxyphenyl)methyl]pyrimidin-2-amine
CID 103726609
5-bromo-N-(1H-imidazol-2-ylmethyl)-4-methoxypyrimidin-2-amine
CID 106997790
5-bromo-4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyrimidin-2-amine
CID 103746110
5-bromo-N-iodo-4-methoxypyrimidin-2-amine
CID 147407713
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
2,4-dibromo-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103746510
4-bromo-3-methyl-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 103741978
N'-(5-bromo-4-methoxypyrimidin-2-yl)-N-cyclopropylethane-1,2-diamine
CID 106998101
5-bromo-4-methoxy-N-(2,3,4,5,6-pentafluorophenyl)pyrimidin-2-amine
CID 106999041

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The IUPAC name of 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine (CID 103746007) is 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The canonical SMILES for 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is COc1nc(NCc2noc(C)n2)ncc1Br.
What is the InChIKey of 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
The InChIKey is QKHCANRUCMLMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5O2/c1-5-13-7(15-17-5)4-12-9-11-3-6(10)8(14-9)16-2/h3H,4H2,1-2H3,(H,11,12,14).
What are the key properties of 5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine?
5-bromo-4-methoxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine has a molecular weight of 300.12 g/mol, XLogP of 1.55, 4 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-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 103746007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).