4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine

C16H15ClF4N2O2 — CID 137426211

IUPAC4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine
SMILESCOc1ccc(COc2nc(CCCC(F)(F)F)nc(Cl)c2F)cc1
InChIInChI=1S/C16H15ClF4N2O2/c1-24-11-6-4-10(5-7-11)9-25-15-13(18)14(17)22-12(23-15)3-2-8-16(19,20)21/h4-7H,2-3,8-9H2,1H3
InChIKeyORRPNLNLASGNLO-UHFFFAOYSA-N
MW378.75 g/mol
LogP4.74
Rot. Bonds7

About 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine

4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine (PubChem CID 137426211) has the molecular formula C16H15ClF4N2O2 and a molecular weight of 378.75 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine
PubChem CID137426211
Molecular FormulaC16H15ClF4N2O2
Molecular Weight378.75 g/mol
Exact Mass378.08
IUPAC Name4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine
SMILESCOc1ccc(COc2nc(CCCC(F)(F)F)nc(Cl)c2F)cc1
InChIInChI=1S/C16H15ClF4N2O2/c1-24-11-6-4-10(5-7-11)9-25-15-13(18)14(17)22-12(23-15)3-2-8-16(19,20)21/h4-7H,2-3,8-9H2,1H3
InChIKeyORRPNLNLASGNLO-UHFFFAOYSA-N
XLogP4.74
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.75
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine?
The IUPAC name of 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine (CID 137426211) is 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine?
The canonical SMILES for 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine is COc1ccc(COc2nc(CCCC(F)(F)F)nc(Cl)c2F)cc1.
What is the InChIKey of 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine?
The InChIKey is ORRPNLNLASGNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF4N2O2/c1-24-11-6-4-10(5-7-11)9-25-15-13(18)14(17)22-12(23-15)3-2-8-16(19,20)21/h4-7H,2-3,8-9H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine?
4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine has a molecular weight of 378.75 g/mol, XLogP of 4.74, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-[(4-methoxyphenyl)methoxy]-2-(4,4,4-trifluorobutyl)pyrimidine is sourced from PubChem (CID 137426211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).