4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine

C10H11ClN4 — CID 121205795

IUPAC4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine
SMILESCc1cc(-c2cc(Cl)nc(C)n2)n(C)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-9(15(3)14-6)8-5-10(11)13-7(2)12-8/h4-5H,1-3H3
InChIKeyGDURLWZEOHXYMF-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine

4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine (PubChem CID 121205795) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine
PubChem CID121205795
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine
SMILESCc1cc(-c2cc(Cl)nc(C)n2)n(C)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-9(15(3)14-6)8-5-10(11)13-7(2)12-8/h4-5H,1-3H3
InChIKeyGDURLWZEOHXYMF-UHFFFAOYSA-N
XLogP2.15
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine (CID 121205795) is 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine is Cc1cc(-c2cc(Cl)nc(C)n2)n(C)n1.
What is the InChIKey of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine?
The InChIKey is GDURLWZEOHXYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-4-9(15(3)14-6)8-5-10(11)13-7(2)12-8/h4-5H,1-3H3.
What are the key properties of 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine?
4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.15, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(2,5-dimethylpyrazol-3-yl)-2-methylpyrimidine is sourced from PubChem (CID 121205795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).