4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine

C10H11ClN4 — CID 83090000

IUPAC4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cn(C)nc2C)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-9(11)13-10(12-6)8-5-15(3)14-7(8)2/h4-5H,1-3H3
InChIKeyUKGOTKGIPRNPMX-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.15
Rot. Bonds1

About 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine

4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine (PubChem CID 83090000) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine
PubChem CID83090000
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine
SMILESCc1cc(Cl)nc(-c2cn(C)nc2C)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-9(11)13-10(12-6)8-5-15(3)14-7(8)2/h4-5H,1-3H3
InChIKeyUKGOTKGIPRNPMX-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-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine (CID 83090000) is 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine is Cc1cc(Cl)nc(-c2cn(C)nc2C)n1.
What is the InChIKey of 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine?
The InChIKey is UKGOTKGIPRNPMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-4-9(11)13-10(12-6)8-5-15(3)14-7(8)2/h4-5H,1-3H3.
What are the key properties of 4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine?
4-chloro-2-(1,3-dimethylpyrazol-4-yl)-6-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-2-(1,3-dimethylpyrazol-4-yl)-6-methylpyrimidine is sourced from PubChem (CID 83090000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).