5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine

C22H20FN5O — CID 176626365

IUPAC5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ncc(F)c(-n4nccn4)n3)cc2)cc1
InChIInChI=1S/C22H20FN5O/c1-15-4-6-16(7-5-15)22(2,3)17-8-10-18(11-9-17)29-21-24-14-19(23)20(27-21)28-25-12-13-26-28/h4-14H,1-3H3
InChIKeyQABKKHGHFXHTHU-UHFFFAOYSA-N
MW389.43 g/mol
LogP4.62
Rot. Bonds5

About 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine

5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine (PubChem CID 176626365) has the molecular formula C22H20FN5O and a molecular weight of 389.43 g/mol. Its IUPAC name is 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine.

Molecular Properties

Compound Name5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
PubChem CID176626365
Molecular FormulaC22H20FN5O
Molecular Weight389.43 g/mol
Exact Mass389.17
IUPAC Name5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3ncc(F)c(-n4nccn4)n3)cc2)cc1
InChIInChI=1S/C22H20FN5O/c1-15-4-6-16(7-5-15)22(2,3)17-8-10-18(11-9-17)29-21-24-14-19(23)20(27-21)28-25-12-13-26-28/h4-14H,1-3H3
InChIKeyQABKKHGHFXHTHU-UHFFFAOYSA-N
XLogP4.62
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-fluoro-5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyridine
CID 176625728
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
2-[5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-4-yl]-5-methyl-1,3,4-oxadiazole
CID 176626016
2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
CID 176626168
5-fluoro-2-(4-fluoropyrazol-1-yl)-4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyridine
CID 176625960
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
2-(4-tert-butylphenoxy)-5-fluoropyrimidine
CID 69192673
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
CID 176625736
1-methoxy-4-[1-[4-[2-(4-methoxyphenyl)propan-2-yl]phenyl]-1-(4-methylphenyl)ethyl]benzene
CID 118446717
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine?
The IUPAC name of 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine (CID 176626365) is 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine.
What is the SMILES notation for 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine?
The canonical SMILES for 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine is Cc1ccc(C(C)(C)c2ccc(Oc3ncc(F)c(-n4nccn4)n3)cc2)cc1.
What is the InChIKey of 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine?
The InChIKey is QABKKHGHFXHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5O/c1-15-4-6-16(7-5-15)22(2,3)17-8-10-18(11-9-17)29-21-24-14-19(23)20(27-21)28-25-12-13-26-28/h4-14H,1-3H3.
What are the key properties of 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine?
5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine has a molecular weight of 389.43 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine is sourced from PubChem (CID 176626365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).