4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine

C10H11ClN4 — CID 114553959

IUPAC4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
SMILESCCc1cc(Cl)nc(-c2ccnn2C)n1
InChIInChI=1S/C10H11ClN4/c1-3-7-6-9(11)14-10(13-7)8-4-5-12-15(8)2/h4-6H,3H2,1-2H3
InChIKeyGWRLFNFUVJMBGJ-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.09
Rot. Bonds2

About 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine

4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine (PubChem CID 114553959) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
PubChem CID114553959
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine
SMILESCCc1cc(Cl)nc(-c2ccnn2C)n1
InChIInChI=1S/C10H11ClN4/c1-3-7-6-9(11)14-10(13-7)8-4-5-12-15(8)2/h4-6H,3H2,1-2H3
InChIKeyGWRLFNFUVJMBGJ-UHFFFAOYSA-N
XLogP2.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine?
The IUPAC name of 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine (CID 114553959) is 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine is CCc1cc(Cl)nc(-c2ccnn2C)n1.
What is the InChIKey of 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine?
The InChIKey is GWRLFNFUVJMBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-3-7-6-9(11)14-10(13-7)8-4-5-12-15(8)2/h4-6H,3H2,1-2H3.
What are the key properties of 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine?
4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-ethyl-2-(2-methylpyrazol-3-yl)pyrimidine is sourced from PubChem (CID 114553959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).