2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine

C6H4ClF3N2O — CID 77231068

IUPAC2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3
InChIKeyXXUSEPOFBSZNLR-UHFFFAOYSA-N
MW212.56 g/mol
LogP2.16
Rot. Bonds1

About 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine

2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine (PubChem CID 77231068) has the molecular formula C6H4ClF3N2O and a molecular weight of 212.56 g/mol. Its IUPAC name is 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
PubChem CID77231068
Molecular FormulaC6H4ClF3N2O
Molecular Weight212.56 g/mol
Exact Mass212.00
IUPAC Name2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(Cl)ncc1C(F)(F)F
InChIInChI=1S/C6H4ClF3N2O/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3
InChIKeyXXUSEPOFBSZNLR-UHFFFAOYSA-N
XLogP2.16
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.56
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Iodo-2,4-dimethoxypyrimidine
CID 263416
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
2-Chloro-4-methoxypyrimidine
CID 588935
(2,4-Dimethoxypyrimidin-5-yl)boronic acid
CID 2736209
2-Fluoro-4-methoxypyrimidine
CID 21791027
4-Methoxypyrimidine
CID 303830
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704
2,5-Dichloro-4-methoxypyrimidine
CID 49761746
5-Fluoro-2,4-dimethoxypyrimidine
CID 268774

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine (CID 77231068) is 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine is COc1nc(Cl)ncc1C(F)(F)F.
What is the InChIKey of 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine?
The InChIKey is XXUSEPOFBSZNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4ClF3N2O/c1-13-4-3(6(8,9)10)2-11-5(7)12-4/h2H,1H3.
What are the key properties of 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine?
2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine has a molecular weight of 212.56 g/mol, XLogP of 2.16, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methoxy-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 77231068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).