2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine

C22H24N2O2 — CID 139215011

IUPAC2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine
SMILESCOc1ccc(CCc2ccnc(CCc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-20-11-7-17(8-12-20)6-10-19-14-15-23-22(24-19)13-9-18-4-3-5-21(16-18)26-2/h3-5,7-8,11-12,14-16H,6,9-10,13H2,1-2H3
InChIKeyTXJCAYFJFOTXSW-UHFFFAOYSA-N
MW348.45 g/mol
LogP4.06
Rot. Bonds8

About 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine

2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine (PubChem CID 139215011) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine
PubChem CID139215011
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine
SMILESCOc1ccc(CCc2ccnc(CCc3cccc(OC)c3)n2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-20-11-7-17(8-12-20)6-10-19-14-15-23-22(24-19)13-9-18-4-3-5-21(16-18)26-2/h3-5,7-8,11-12,14-16H,6,9-10,13H2,1-2H3
InChIKeyTXJCAYFJFOTXSW-UHFFFAOYSA-N
XLogP4.06
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-[2-[3-[4-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172870937
4-N-[2-(3-methoxyphenyl)ethyl]-2-N-[2-(4-methoxyphenyl)ethyl]pyrimidine-2,4-diamine
CID 112895126
3-(3-methoxyphenyl)propyl-[3-(4-methoxyphenyl)propyl]azanium chloride
CID 110184914
3-[2-(4-methoxyphenyl)ethyl]phenol
CID 71375357
1,3-dimethoxy-5-[2-[4-[3-methoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871054
2-methoxy-N-[[2-[(3-methoxyphenyl)methyl]pyrimidin-4-yl]methyl]ethanamine
CID 62748475
2-(4-methoxyphenyl)-N-[(3-pyrimidin-2-yloxyphenyl)methyl]ethanamine
CID 17213608
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209
1-chloro-3-[2-(4-methoxyphenyl)ethyl]benzene
CID 131860634
1-methoxy-3-[2-methoxy-4-[2-(3-methoxyphenyl)ethyl]phenoxy]-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871177
1-methoxy-3-propylbenzene
CID 14270128
[2-[(4-methoxyphenyl)methyl]pyrimidin-4-yl]methanol
CID 62748660

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine?
The IUPAC name of 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine (CID 139215011) is 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine is COc1ccc(CCc2ccnc(CCc3cccc(OC)c3)n2)cc1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine?
The InChIKey is TXJCAYFJFOTXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-20-11-7-17(8-12-20)6-10-19-14-15-23-22(24-19)13-9-18-4-3-5-21(16-18)26-2/h3-5,7-8,11-12,14-16H,6,9-10,13H2,1-2H3.
What are the key properties of 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine?
2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine has a molecular weight of 348.45 g/mol, XLogP of 4.06, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)ethyl]-4-[2-(4-methoxyphenyl)ethyl]pyrimidine is sourced from PubChem (CID 139215011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).