2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine

C8H8ClN5 — CID 45480472

IUPAC2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2cc(Cl)ncn2)n1
InChIInChI=1S/C8H8ClN5/c1-5-2-7(10)14(13-5)8-3-6(9)11-4-12-8/h2-4H,10H2,1H3
InChIKeyIMTBRUGOHDBTTL-UHFFFAOYSA-N
MW209.64 g/mol
LogP1.21
Rot. Bonds1

About 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine

2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine (PubChem CID 45480472) has the molecular formula C8H8ClN5 and a molecular weight of 209.64 g/mol. Its IUPAC name is 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine.

Molecular Properties

Compound Name2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
PubChem CID45480472
Molecular FormulaC8H8ClN5
Molecular Weight209.64 g/mol
Exact Mass209.05
IUPAC Name2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine
SMILESCc1cc(N)n(-c2cc(Cl)ncn2)n1
InChIInChI=1S/C8H8ClN5/c1-5-2-7(10)14(13-5)8-3-6(9)11-4-12-8/h2-4H,10H2,1H3
InChIKeyIMTBRUGOHDBTTL-UHFFFAOYSA-N
XLogP1.21
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine?
The IUPAC name of 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine (CID 45480472) is 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine.
What is the SMILES notation for 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine?
The canonical SMILES for 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine is Cc1cc(N)n(-c2cc(Cl)ncn2)n1.
What is the InChIKey of 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine?
The InChIKey is IMTBRUGOHDBTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClN5/c1-5-2-7(10)14(13-5)8-3-6(9)11-4-12-8/h2-4H,10H2,1H3.
What are the key properties of 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine?
2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine has a molecular weight of 209.64 g/mol, XLogP of 1.21, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloropyrimidin-4-yl)-5-methylpyrazol-3-amine is sourced from PubChem (CID 45480472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).