4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine

C10H6F4N4O — CID 146636432

IUPAC4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ncccn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H6F4N4O/c1-19-9-5(10(12,13)14)6(11)17-8(18-9)7-15-3-2-4-16-7/h2-4H,1H3
InChIKeyWEDTUJVQPIWDFJ-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.10
Rot. Bonds2

About 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine

4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 146636432) has the molecular formula C10H6F4N4O and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine
PubChem CID146636432
Molecular FormulaC10H6F4N4O
Molecular Weight274.18 g/mol
Exact Mass274.05
IUPAC Name4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2ncccn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H6F4N4O/c1-19-9-5(10(12,13)14)6(11)17-8(18-9)7-15-3-2-4-16-7/h2-4H,1H3
InChIKeyWEDTUJVQPIWDFJ-UHFFFAOYSA-N
XLogP2.10
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine (CID 146636432) is 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2ncccn2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is WEDTUJVQPIWDFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O/c1-19-9-5(10(12,13)14)6(11)17-8(18-9)7-15-3-2-4-16-7/h2-4H,1H3.
What are the key properties of 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine has a molecular weight of 274.18 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-methoxy-2-pyrimidin-2-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 146636432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).