4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine

C9H10BrN5 — CID 64831077

IUPAC4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H10BrN5/c1-14(2)9-11-4-3-8(13-9)15-6-7(10)5-12-15/h3-6H,1-2H3
InChIKeyMXHXBMBXRIIYIF-UHFFFAOYSA-N
MW268.12 g/mol
LogP1.49
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine

4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine (PubChem CID 64831077) has the molecular formula C9H10BrN5 and a molecular weight of 268.12 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
PubChem CID64831077
Molecular FormulaC9H10BrN5
Molecular Weight268.12 g/mol
Exact Mass267.01
IUPAC Name4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(-n2cc(Br)cn2)n1
InChIInChI=1S/C9H10BrN5/c1-14(2)9-11-4-3-8(13-9)15-6-7(10)5-12-15/h3-6H,1-2H3
InChIKeyMXHXBMBXRIIYIF-UHFFFAOYSA-N
XLogP1.49
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.12
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine (CID 64831077) is 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
The InChIKey is MXHXBMBXRIIYIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrN5/c1-14(2)9-11-4-3-8(13-9)15-6-7(10)5-12-15/h3-6H,1-2H3.
What are the key properties of 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine?
4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine has a molecular weight of 268.12 g/mol, XLogP of 1.49, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 64831077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).