5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine

C9H9BrN4O — CID 131162930

IUPAC5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine
SMILESCOc1cnn(-c2nc(C)ncc2Br)c1
InChIInChI=1S/C9H9BrN4O/c1-6-11-4-8(10)9(13-6)14-5-7(15-2)3-12-14/h3-5H,1-2H3
InChIKeyDLEUVEBUSMGCMS-UHFFFAOYSA-N
MW269.10 g/mol
LogP1.74
Rot. Bonds2

About 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine

5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine (PubChem CID 131162930) has the molecular formula C9H9BrN4O and a molecular weight of 269.10 g/mol. Its IUPAC name is 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine
PubChem CID131162930
Molecular FormulaC9H9BrN4O
Molecular Weight269.10 g/mol
Exact Mass268.00
IUPAC Name5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine
SMILESCOc1cnn(-c2nc(C)ncc2Br)c1
InChIInChI=1S/C9H9BrN4O/c1-6-11-4-8(10)9(13-6)14-5-7(15-2)3-12-14/h3-5H,1-2H3
InChIKeyDLEUVEBUSMGCMS-UHFFFAOYSA-N
XLogP1.74
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-6-(4-methoxypyrazol-1-yl)-2-methylpyridine
CID 130511266
5-bromo-2-(4-methoxypyrazol-1-yl)pyridine
CID 130511258
4-methoxy-1-(4-methylphenyl)pyrazole
CID 117229729
5-bromo-N-methyl-4-(4-methylpyrazol-1-yl)pyrimidin-2-amine
CID 80852890
3,5-dichloro-6-(4-methoxypyrazol-1-yl)-N-methylpyridin-2-amine
CID 114274024
1-bromo-4-methoxypyrazole
CID 145425644
4-(4-methoxypyrazol-1-yl)phenol
CID 88996321
1-(4-fluorophenyl)-4-methoxypyrazole
CID 117229730
5-bromo-2,4-dimethylpyrimidine;ethane
CID 155723230
4-(chloromethyl)-2-(4-methoxypyrazol-1-yl)-6-propylpyridine
CID 114274250
[5-bromo-4-(4-iodopyrazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80902772
5-bromo-4-[4-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 80868730

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine?
The IUPAC name of 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine (CID 131162930) is 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine?
The canonical SMILES for 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine is COc1cnn(-c2nc(C)ncc2Br)c1.
What is the InChIKey of 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine?
The InChIKey is DLEUVEBUSMGCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4O/c1-6-11-4-8(10)9(13-6)14-5-7(15-2)3-12-14/h3-5H,1-2H3.
What are the key properties of 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine?
5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine has a molecular weight of 269.10 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(4-methoxypyrazol-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 131162930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).