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

C22H21N5O — CID 176626174

IUPAC5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(-n4nccn4)nc3)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-16-4-6-17(7-5-16)22(2,3)18-8-10-19(11-9-18)28-20-14-23-21(24-15-20)27-25-12-13-26-27/h4-15H,1-3H3
InChIKeyGBICWLBILGOCTP-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.48
Rot. Bonds5

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

5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine (PubChem CID 176626174) has the molecular formula C22H21N5O and a molecular weight of 371.44 g/mol. Its IUPAC name is 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine.

Molecular Properties

Compound Name5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
PubChem CID176626174
Molecular FormulaC22H21N5O
Molecular Weight371.44 g/mol
Exact Mass371.17
IUPAC Name5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(-n4nccn4)nc3)cc2)cc1
InChIInChI=1S/C22H21N5O/c1-16-4-6-17(7-5-16)22(2,3)18-8-10-19(11-9-18)28-20-14-23-21(24-15-20)27-25-12-13-26-27/h4-15H,1-3H3
InChIKeyGBICWLBILGOCTP-UHFFFAOYSA-N
XLogP4.48
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.48
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
2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyridine
CID 176626168
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
5-fluoro-2-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-4-(triazol-2-yl)pyrimidine
CID 176626365
6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176625631
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
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
3-[4-[2-[4-[[6-(triazol-2-yl)-3-pyridinyl]oxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 167437281
1-(4-methylphenoxy)-4-[4-[4-[2-[3-[2-(4-methylphenyl)propan-2-yl]phenyl]propan-2-yl]phenyl]phenoxy]benzene
CID 159990763
4-(4-fluoropyrazol-1-yl)-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidine
CID 176626406
2-methyl-6-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazine
CID 176625736

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine?
The IUPAC name of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine (CID 176626174) is 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine.
What is the SMILES notation for 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine?
The canonical SMILES for 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine is Cc1ccc(C(C)(C)c2ccc(Oc3cnc(-n4nccn4)nc3)cc2)cc1.
What is the InChIKey of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine?
The InChIKey is GBICWLBILGOCTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O/c1-16-4-6-17(7-5-16)22(2,3)18-8-10-19(11-9-18)28-20-14-23-21(24-15-20)27-25-12-13-26-27/h4-15H,1-3H3.
What are the key properties of 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine?
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine has a molecular weight of 371.44 g/mol, XLogP of 4.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine is sourced from PubChem (CID 176626174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).