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

C10H6F4N4O — CID 156702028

IUPAC4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cnccn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H6F4N4O/c1-19-9-6(10(12,13)14)7(11)17-8(18-9)5-4-15-2-3-16-5/h2-4H,1H3
InChIKeyPMFAQXJRNYTCRU-UHFFFAOYSA-N
MW274.18 g/mol
LogP2.10
Rot. Bonds2

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

4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine (PubChem CID 156702028) has the molecular formula C10H6F4N4O and a molecular weight of 274.18 g/mol. Its IUPAC name is 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine
PubChem CID156702028
Molecular FormulaC10H6F4N4O
Molecular Weight274.18 g/mol
Exact Mass274.05
IUPAC Name4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine
SMILESCOc1nc(-c2cnccn2)nc(F)c1C(F)(F)F
InChIInChI=1S/C10H6F4N4O/c1-19-9-6(10(12,13)14)7(11)17-8(18-9)5-4-15-2-3-16-5/h2-4H,1H3
InChIKeyPMFAQXJRNYTCRU-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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Related Compounds

4-fluoro-6-methoxy-2-(4-methylpyrimidin-5-yl)-5-(trifluoromethyl)pyrimidine
CID 163460917
4-fluoro-6-methoxy-2-pyrimidin-4-yl-5-(trifluoromethyl)pyrimidine;pyrimidine-4-carboximidamide;hydrochloride
CID 163598898
4-fluoro-6-methoxy-2-(1-methyl-5-methylsulfanylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidine
CID 156865181
4,6-dimethoxy-2-(5-methylpyridazin-4-yl)-5-(trifluoromethyl)pyrimidine
CID 178173710
2-(5-chlorothiophen-2-yl)-4-fluoro-6-methoxy-5-(trifluoromethyl)pyrimidine
CID 156732790
4,6-dimethoxy-2-pyrimidin-5-yl-5-(trifluoromethyl)pyrimidine
CID 178173695
2-[5-(trifluoromethyl)-1H-1,2,4-triazol-3-yl]pyrazine
CID 66487036
methyl 2-[4-methoxy-6-phenoxy-5-(trifluoromethyl)pyrimidin-2-yl]pyridine-4-carboxylate
CID 162358687
2-(3-fluoro-5-methoxyphenyl)pyrazine
CID 166161834
4-chloro-5-methoxy-2-pyrazin-2-ylpyrimidine
CID 86668897
6-(4-methoxy-2,6-dimethylphenyl)-2-pyrazin-2-ylpyrimidin-4-amine
CID 101496786
4-methoxy-6-(4-methylphenyl)sulfanyl-2-(5-methyl-2-pyridinyl)-5-(trifluoromethyl)pyrimidine
CID 162358682

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine (CID 156702028) is 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine is COc1nc(-c2cnccn2)nc(F)c1C(F)(F)F.
What is the InChIKey of 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine?
The InChIKey is PMFAQXJRNYTCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F4N4O/c1-19-9-6(10(12,13)14)7(11)17-8(18-9)5-4-15-2-3-16-5/h2-4H,1H3.
What are the key properties of 4-fluoro-6-methoxy-2-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine?
4-fluoro-6-methoxy-2-pyrazin-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-pyrazin-2-yl-5-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 156702028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).