2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine

C7H7ClF2N2O — CID 170351722

IUPAC2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine
SMILESCOc1cc(C(C)(F)F)nc(Cl)n1
InChIInChI=1S/C7H7ClF2N2O/c1-7(9,10)4-3-5(13-2)12-6(8)11-4/h3H,1-2H3
InChIKeyIIDVWWIBRZGOMU-UHFFFAOYSA-N
MW208.59 g/mol
LogP2.25
Rot. Bonds2

About 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine

2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine (PubChem CID 170351722) has the molecular formula C7H7ClF2N2O and a molecular weight of 208.59 g/mol. Its IUPAC name is 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine.

Molecular Properties

Compound Name2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine
PubChem CID170351722
Molecular FormulaC7H7ClF2N2O
Molecular Weight208.59 g/mol
Exact Mass208.02
IUPAC Name2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine
SMILESCOc1cc(C(C)(F)F)nc(Cl)n1
InChIInChI=1S/C7H7ClF2N2O/c1-7(9,10)4-3-5(13-2)12-6(8)11-4/h3H,1-2H3
InChIKeyIIDVWWIBRZGOMU-UHFFFAOYSA-N
XLogP2.25
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.59
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248064
2-Chloro-4-methoxy-6-methylpyrimidine
CID 12490571
4-(Difluoromethoxy)-6-methylpyrimidin-2-amine
CID 2817390
2-Chloro-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 19100561
4-Methoxy-6-(trifluoromethyl)pyrimidin-2-amine
CID 606193
2,4-Dimethoxy-6-(trifluoromethyl)pyrimidine
CID 21732779
4-(Heptafluoropropyl)-6-methoxy-2-(methylsulfanyl)pyrimidine
CID 138756379
4-(Fluoromethoxy)-6-propan-2-ylpyrimidine
CID 177852945
4-Ethoxy-6-ethylpyrimidin-2-amine
CID 119085413
2-Chloro-4-ethoxy-6-(trifluoromethyl)pyrimidine
CID 13925077
[4-Methoxy-6-(trifluoromethyl)pyrimidin-2-yl]cyanamide
CID 14280161
2-Fluoro-4-trifluoromethoxy-6-trifluoromethyl-pyrimidine
CID 15022713

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine?
The IUPAC name of 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine (CID 170351722) is 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine.
What is the SMILES notation for 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine?
The canonical SMILES for 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine is COc1cc(C(C)(F)F)nc(Cl)n1.
What is the InChIKey of 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine?
The InChIKey is IIDVWWIBRZGOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClF2N2O/c1-7(9,10)4-3-5(13-2)12-6(8)11-4/h3H,1-2H3.
What are the key properties of 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine?
2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine has a molecular weight of 208.59 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1,1-difluoroethyl)-6-methoxypyrimidine is sourced from PubChem (CID 170351722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).