5-iodo-2-(3-phenylpropyl)pyrimidine

C13H13IN2 — CID 163930375

IUPAC5-iodo-2-(3-phenylpropyl)pyrimidine
SMILESIc1cnc(CCCc2ccccc2)nc1
InChIInChI=1S/C13H13IN2/c14-12-9-15-13(16-10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChIKeyRIEHOFTVMQXOHE-UHFFFAOYSA-N
MW324.17 g/mol
LogP3.26
Rot. Bonds4

About 5-iodo-2-(3-phenylpropyl)pyrimidine

5-iodo-2-(3-phenylpropyl)pyrimidine (PubChem CID 163930375) has the molecular formula C13H13IN2 and a molecular weight of 324.17 g/mol. Its IUPAC name is 5-iodo-2-(3-phenylpropyl)pyrimidine.

Molecular Properties

Compound Name5-iodo-2-(3-phenylpropyl)pyrimidine
PubChem CID163930375
Molecular FormulaC13H13IN2
Molecular Weight324.17 g/mol
Exact Mass324.01
IUPAC Name5-iodo-2-(3-phenylpropyl)pyrimidine
SMILESIc1cnc(CCCc2ccccc2)nc1
InChIInChI=1S/C13H13IN2/c14-12-9-15-13(16-10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2
InChIKeyRIEHOFTVMQXOHE-UHFFFAOYSA-N
XLogP3.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.17
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1,4-bis(3-phenylpropyl)benzene
CID 59467322
CID 159131095
CID 159131095
4-phenylbutylbenzene
CID 141301927
methane;4-phenylbutylbenzene
CID 173386802
hafnium;4-phenylbutylbenzene
CID 175889972
2-(3-phenylpropyl)phenolate
CID 123450771
3-(3-phenylpropyl)-2-[3-(3-phenylpropyl)-2-pyridinyl]pyridine
CID 102306107
5-iodo-2-(2-phenylethyl)pyrimidin-4-amine
CID 66303498
azane;5-phenyl-2-(3-phenylpropyl)-1H-imidazole
CID 174441840
5-bromo-2-(3-phenylpropyl)pyridine
CID 22127052
tetrakis(3-phenylpropyl)silane
CID 4606835
benzene;2-phenylethylbenzene
CID 18982764

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(3-phenylpropyl)pyrimidine?
The IUPAC name of 5-iodo-2-(3-phenylpropyl)pyrimidine (CID 163930375) is 5-iodo-2-(3-phenylpropyl)pyrimidine.
What is the SMILES notation for 5-iodo-2-(3-phenylpropyl)pyrimidine?
The canonical SMILES for 5-iodo-2-(3-phenylpropyl)pyrimidine is Ic1cnc(CCCc2ccccc2)nc1.
What is the InChIKey of 5-iodo-2-(3-phenylpropyl)pyrimidine?
The InChIKey is RIEHOFTVMQXOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13IN2/c14-12-9-15-13(16-10-12)8-4-7-11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2.
What are the key properties of 5-iodo-2-(3-phenylpropyl)pyrimidine?
5-iodo-2-(3-phenylpropyl)pyrimidine has a molecular weight of 324.17 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-phenylpropyl)pyrimidine is sourced from PubChem (CID 163930375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).