2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine

C30H36N4 — CID 143613009

IUPAC2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine
SMILESc1ccc(CCCc2cc(-c3ccc(CCCC4=NCCN4)cc3)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C30H36N4/c1-2-8-23(9-3-1)10-6-14-27-22-28(34-30(33-27)26-12-4-5-13-26)25-18-16-24(17-19-25)11-7-15-29-31-20-21-32-29/h1-3,8-9,16-19,22,26H,4-7,10-15,20-21H2,(H,31,32)
InChIKeyGUEMMYWPRFTQIB-UHFFFAOYSA-N
MW452.65 g/mol
LogP6.30
Rot. Bonds10

About 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine

2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine (PubChem CID 143613009) has the molecular formula C30H36N4 and a molecular weight of 452.65 g/mol. Its IUPAC name is 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine.

Molecular Properties

Compound Name2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine
PubChem CID143613009
Molecular FormulaC30H36N4
Molecular Weight452.65 g/mol
Exact Mass452.29
IUPAC Name2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine
SMILESc1ccc(CCCc2cc(-c3ccc(CCCC4=NCCN4)cc3)nc(C3CCCC3)n2)cc1
InChIInChI=1S/C30H36N4/c1-2-8-23(9-3-1)10-6-14-27-22-28(34-30(33-27)26-12-4-5-13-26)25-18-16-24(17-19-25)11-7-15-29-31-20-21-32-29/h1-3,8-9,16-19,22,26H,4-7,10-15,20-21H2,(H,31,32)
InChIKeyGUEMMYWPRFTQIB-UHFFFAOYSA-N
XLogP6.30
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500452.65
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine?
The IUPAC name of 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine (CID 143613009) is 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine.
What is the SMILES notation for 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine?
The canonical SMILES for 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine is c1ccc(CCCc2cc(-c3ccc(CCCC4=NCCN4)cc3)nc(C3CCCC3)n2)cc1.
What is the InChIKey of 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine?
The InChIKey is GUEMMYWPRFTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N4/c1-2-8-23(9-3-1)10-6-14-27-22-28(34-30(33-27)26-12-4-5-13-26)25-18-16-24(17-19-25)11-7-15-29-31-20-21-32-29/h1-3,8-9,16-19,22,26H,4-7,10-15,20-21H2,(H,31,32).
What are the key properties of 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine?
2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine has a molecular weight of 452.65 g/mol, XLogP of 6.30, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-[4-[3-(4,5-dihydro-1H-imidazol-2-yl)propyl]phenyl]-6-(3-phenylpropyl)pyrimidine is sourced from PubChem (CID 143613009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).