2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine

C33H40N4 — CID 159432047

IUPAC2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1cc(CCc2ccc(C3=NCCCN3)cc2C)cc(CCc2ccc(C3=NCCCN3)cc2C)c1
InChIInChI=1S/C33H40N4/c1-23-18-26(6-8-28-10-12-30(20-24(28)2)32-34-14-4-15-35-32)22-27(19-23)7-9-29-11-13-31(21-25(29)3)33-36-16-5-17-37-33/h10-13,18-22H,4-9,14-17H2,1-3H3,(H,34,35)(H,36,37)
InChIKeyLRCIUFUUBXJQQW-UHFFFAOYSA-N
MW492.71 g/mol
LogP5.66
Rot. Bonds8

About 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine

2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine (PubChem CID 159432047) has the molecular formula C33H40N4 and a molecular weight of 492.71 g/mol. Its IUPAC name is 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine.

Molecular Properties

Compound Name2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
PubChem CID159432047
Molecular FormulaC33H40N4
Molecular Weight492.71 g/mol
Exact Mass492.33
IUPAC Name2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine
SMILESCc1cc(CCc2ccc(C3=NCCCN3)cc2C)cc(CCc2ccc(C3=NCCCN3)cc2C)c1
InChIInChI=1S/C33H40N4/c1-23-18-26(6-8-28-10-12-30(20-24(28)2)32-34-14-4-15-35-32)22-27(19-23)7-9-29-11-13-31(21-25(29)3)33-36-16-5-17-37-33/h10-13,18-22H,4-9,14-17H2,1-3H3,(H,34,35)(H,36,37)
InChIKeyLRCIUFUUBXJQQW-UHFFFAOYSA-N
XLogP5.66
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.71
LogP ≤ 55.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The IUPAC name of 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine (CID 159432047) is 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine.
What is the SMILES notation for 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The canonical SMILES for 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine is Cc1cc(CCc2ccc(C3=NCCCN3)cc2C)cc(CCc2ccc(C3=NCCCN3)cc2C)c1.
What is the InChIKey of 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
The InChIKey is LRCIUFUUBXJQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H40N4/c1-23-18-26(6-8-28-10-12-30(20-24(28)2)32-34-14-4-15-35-32)22-27(19-23)7-9-29-11-13-31(21-25(29)3)33-36-16-5-17-37-33/h10-13,18-22H,4-9,14-17H2,1-3H3,(H,34,35)(H,36,37).
What are the key properties of 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine?
2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine has a molecular weight of 492.71 g/mol, XLogP of 5.66, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methyl-4-[2-[3-methyl-5-[2-[2-methyl-4-(1,4,5,6-tetrahydropyrimidin-2-yl)phenyl]ethyl]phenyl]ethyl]phenyl]-1,4,5,6-tetrahydropyrimidine is sourced from PubChem (CID 159432047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).