4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine

C10H11ClN4 — CID 762223

IUPAC4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
SMILESCc1cc(C)n(-c2cc(Cl)nc(C)n2)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-7(2)15(14-6)10-5-9(11)12-8(3)13-10/h4-5H,1-3H3
InChIKeyYUVZWUDVMQQABN-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.24
Rot. Bonds1

About 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine

4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine (PubChem CID 762223) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
PubChem CID762223
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine
SMILESCc1cc(C)n(-c2cc(Cl)nc(C)n2)n1
InChIInChI=1S/C10H11ClN4/c1-6-4-7(2)15(14-6)10-5-9(11)12-8(3)13-10/h4-5H,1-3H3
InChIKeyYUVZWUDVMQQABN-UHFFFAOYSA-N
XLogP2.24
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 ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine (CID 762223) is 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine is Cc1cc(C)n(-c2cc(Cl)nc(C)n2)n1.
What is the InChIKey of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
The InChIKey is YUVZWUDVMQQABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-6-4-7(2)15(14-6)10-5-9(11)12-8(3)13-10/h4-5H,1-3H3.
What are the key properties of 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine?
4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine has a molecular weight of 222.68 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3,5-dimethylpyrazol-1-yl)-2-methylpyrimidine is sourced from PubChem (CID 762223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).