5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine

C27H26N2O — CID 59265321

IUPAC5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
SMILESCc1ccc(OCc2ccc(-c3ccc(CCc4ncc(C)cn4)cc3)cc2)cc1
InChIInChI=1S/C27H26N2O/c1-20-3-14-26(15-4-20)30-19-23-7-12-25(13-8-23)24-10-5-22(6-11-24)9-16-27-28-17-21(2)18-29-27/h3-8,10-15,17-18H,9,16,19H2,1-2H3
InChIKeyLRCUWZQZCKUWFI-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.12
Rot. Bonds7

About 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine

5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine (PubChem CID 59265321) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine.

Molecular Properties

Compound Name5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
PubChem CID59265321
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine
SMILESCc1ccc(OCc2ccc(-c3ccc(CCc4ncc(C)cn4)cc3)cc2)cc1
InChIInChI=1S/C27H26N2O/c1-20-3-14-26(15-4-20)30-19-23-7-12-25(13-8-23)24-10-5-22(6-11-24)9-16-27-28-17-21(2)18-29-27/h3-8,10-15,17-18H,9,16,19H2,1-2H3
InChIKeyLRCUWZQZCKUWFI-UHFFFAOYSA-N
XLogP6.12
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[[4-[(4-methylphenoxy)methyl]phenoxy]methyl]benzene
CID 59641480
1-(bromomethyl)-4-[(4-methylphenyl)methoxy]benzene
CID 22983698
4-[4-[(4-methylphenyl)methoxy]phenyl]butan-2-amine
CID 43184619
4-[[4-[(4-methylphenyl)methoxy]phenyl]methoxymethyl]pyridine
CID 23399976
[2-[(4-methylphenoxy)methyl]pyrimidin-5-yl]methanamine
CID 169243482
1-methyl-4-[2-[4-(4-methylphenoxy)phenyl]ethyl]benzene
CID 126542735
fluoromethane;1-methyl-4-phenylmethoxybenzene
CID 91304163
1-methyl-4-[2-[4-[2-[2-[4-[2-(4-methylphenyl)ethyl]phenoxy]ethoxy]ethoxy]phenyl]ethyl]benzene
CID 139518655
3-[(4-methylphenyl)methoxy]pyridine
CID 58445986
2-benzyl-5-(4-phenylmethoxyphenyl)pyrimidine
CID 174577128
1,3-difluoro-2-methyl-5-[[4-(4-methylphenyl)phenyl]methoxy]benzene
CID 118908563
potassium trifluoro-[4-[(4-methylphenyl)methoxy]phenyl]boranuide
CID 63677677

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine?
The IUPAC name of 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine (CID 59265321) is 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine.
What is the SMILES notation for 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine?
The canonical SMILES for 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine is Cc1ccc(OCc2ccc(-c3ccc(CCc4ncc(C)cn4)cc3)cc2)cc1.
What is the InChIKey of 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine?
The InChIKey is LRCUWZQZCKUWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-20-3-14-26(15-4-20)30-19-23-7-12-25(13-8-23)24-10-5-22(6-11-24)9-16-27-28-17-21(2)18-29-27/h3-8,10-15,17-18H,9,16,19H2,1-2H3.
What are the key properties of 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine?
5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine has a molecular weight of 394.52 g/mol, XLogP of 6.12, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-[4-[4-[(4-methylphenoxy)methyl]phenyl]phenyl]ethyl]pyrimidine is sourced from PubChem (CID 59265321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).