4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine

C8H7BrClN5 — CID 80854084

IUPAC4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C8H7BrClN5/c1-11-8-12-3-6(10)7(14-8)15-4-5(9)2-13-15/h2-4H,1H3,(H,11,12,14)
InChIKeySGNBGOKZKVGCNK-UHFFFAOYSA-N
MW288.54 g/mol
LogP2.12
Rot. Bonds2

About 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine

4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine (PubChem CID 80854084) has the molecular formula C8H7BrClN5 and a molecular weight of 288.54 g/mol. Its IUPAC name is 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine
PubChem CID80854084
Molecular FormulaC8H7BrClN5
Molecular Weight288.54 g/mol
Exact Mass286.96
IUPAC Name4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-n2cc(Br)cn2)n1
InChIInChI=1S/C8H7BrClN5/c1-11-8-12-3-6(10)7(14-8)15-4-5(9)2-13-15/h2-4H,1H3,(H,11,12,14)
InChIKeySGNBGOKZKVGCNK-UHFFFAOYSA-N
XLogP2.12
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.54
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
The IUPAC name of 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine (CID 80854084) is 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
The canonical SMILES for 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(-n2cc(Br)cn2)n1.
What is the InChIKey of 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
The InChIKey is SGNBGOKZKVGCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN5/c1-11-8-12-3-6(10)7(14-8)15-4-5(9)2-13-15/h2-4H,1H3,(H,11,12,14).
What are the key properties of 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine?
4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine has a molecular weight of 288.54 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromopyrazol-1-yl)-5-chloro-N-methylpyrimidin-2-amine is sourced from PubChem (CID 80854084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).