4-chloro-6-(difluoromethoxy)-2-methylpyrimidine

C6H5ClF2N2O — CID 59058130

IUPAC4-chloro-6-(difluoromethoxy)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(OC(F)F)n1
InChIInChI=1S/C6H5ClF2N2O/c1-3-10-4(7)2-5(11-3)12-6(8)9/h2,6H,1H3
InChIKeyHXNHHPDQOVQFCD-UHFFFAOYSA-N
MW194.57 g/mol
LogP2.04
Rot. Bonds2

About 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine

4-chloro-6-(difluoromethoxy)-2-methylpyrimidine (PubChem CID 59058130) has the molecular formula C6H5ClF2N2O and a molecular weight of 194.57 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethoxy)-2-methylpyrimidine
PubChem CID59058130
Molecular FormulaC6H5ClF2N2O
Molecular Weight194.57 g/mol
Exact Mass194.01
IUPAC Name4-chloro-6-(difluoromethoxy)-2-methylpyrimidine
SMILESCc1nc(Cl)cc(OC(F)F)n1
InChIInChI=1S/C6H5ClF2N2O/c1-3-10-4(7)2-5(11-3)12-6(8)9/h2,6H,1H3
InChIKeyHXNHHPDQOVQFCD-UHFFFAOYSA-N
XLogP2.04
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.57
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine (CID 59058130) is 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine is Cc1nc(Cl)cc(OC(F)F)n1.
What is the InChIKey of 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine?
The InChIKey is HXNHHPDQOVQFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClF2N2O/c1-3-10-4(7)2-5(11-3)12-6(8)9/h2,6H,1H3.
What are the key properties of 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine?
4-chloro-6-(difluoromethoxy)-2-methylpyrimidine has a molecular weight of 194.57 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethoxy)-2-methylpyrimidine is sourced from PubChem (CID 59058130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).