5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine

C8H7BrClN5 — CID 126505088

IUPAC5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2ncc(Br)cn2)c(Cl)n1
InChIInChI=1S/C8H7BrClN5/c1-15-4-6(7(10)14-15)13-8-11-2-5(9)3-12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyMTLIVULAMVGELO-UHFFFAOYSA-N
MW288.54 g/mol
LogP2.37
Rot. Bonds2

About 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine

5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine (PubChem CID 126505088) has the molecular formula C8H7BrClN5 and a molecular weight of 288.54 g/mol. Its IUPAC name is 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine
PubChem CID126505088
Molecular FormulaC8H7BrClN5
Molecular Weight288.54 g/mol
Exact Mass286.96
IUPAC Name5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine
SMILESCn1cc(Nc2ncc(Br)cn2)c(Cl)n1
InChIInChI=1S/C8H7BrClN5/c1-15-4-6(7(10)14-15)13-8-11-2-5(9)3-12-8/h2-4H,1H3,(H,11,12,13)
InChIKeyMTLIVULAMVGELO-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine?
The IUPAC name of 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine (CID 126505088) is 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine is Cn1cc(Nc2ncc(Br)cn2)c(Cl)n1.
What is the InChIKey of 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine?
The InChIKey is MTLIVULAMVGELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrClN5/c1-15-4-6(7(10)14-15)13-8-11-2-5(9)3-12-8/h2-4H,1H3,(H,11,12,13).
What are the key properties of 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine?
5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine has a molecular weight of 288.54 g/mol, XLogP of 2.37, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(3-chloro-1-methylpyrazol-4-yl)pyrimidin-2-amine is sourced from PubChem (CID 126505088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).