4-chloro-6-methoxy-2,5-dimethylpyrimidine

C7H9ClN2O — CID 63735691

IUPAC4-chloro-6-methoxy-2,5-dimethylpyrimidine
SMILESCOc1nc(C)nc(Cl)c1C
InChIInChI=1S/C7H9ClN2O/c1-4-6(8)9-5(2)10-7(4)11-3/h1-3H3
InChIKeyGSMZFJGIKRCBMN-UHFFFAOYSA-N
MW172.61 g/mol
LogP1.76
Rot. Bonds1

About 4-chloro-6-methoxy-2,5-dimethylpyrimidine

4-chloro-6-methoxy-2,5-dimethylpyrimidine (PubChem CID 63735691) has the molecular formula C7H9ClN2O and a molecular weight of 172.61 g/mol. Its IUPAC name is 4-chloro-6-methoxy-2,5-dimethylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-methoxy-2,5-dimethylpyrimidine
PubChem CID63735691
Molecular FormulaC7H9ClN2O
Molecular Weight172.61 g/mol
Exact Mass172.04
IUPAC Name4-chloro-6-methoxy-2,5-dimethylpyrimidine
SMILESCOc1nc(C)nc(Cl)c1C
InChIInChI=1S/C7H9ClN2O/c1-4-6(8)9-5(2)10-7(4)11-3/h1-3H3
InChIKeyGSMZFJGIKRCBMN-UHFFFAOYSA-N
XLogP1.76
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.61
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methoxy-2,5-dimethylpyrimidine?
The IUPAC name of 4-chloro-6-methoxy-2,5-dimethylpyrimidine (CID 63735691) is 4-chloro-6-methoxy-2,5-dimethylpyrimidine.
What is the SMILES notation for 4-chloro-6-methoxy-2,5-dimethylpyrimidine?
The canonical SMILES for 4-chloro-6-methoxy-2,5-dimethylpyrimidine is COc1nc(C)nc(Cl)c1C.
What is the InChIKey of 4-chloro-6-methoxy-2,5-dimethylpyrimidine?
The InChIKey is GSMZFJGIKRCBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN2O/c1-4-6(8)9-5(2)10-7(4)11-3/h1-3H3.
What are the key properties of 4-chloro-6-methoxy-2,5-dimethylpyrimidine?
4-chloro-6-methoxy-2,5-dimethylpyrimidine has a molecular weight of 172.61 g/mol, XLogP of 1.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methoxy-2,5-dimethylpyrimidine is sourced from PubChem (CID 63735691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).