4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine

C15H14ClIN2 — CID 66293287

IUPAC4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
SMILESClc1nc(CCc2ccccc2)nc(C2CC2)c1I
InChIInChI=1S/C15H14ClIN2/c16-15-13(17)14(11-7-8-11)18-12(19-15)9-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyODNVKHZMFRVVMY-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.40
Rot. Bonds4

About 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine

4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine (PubChem CID 66293287) has the molecular formula C15H14ClIN2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
PubChem CID66293287
Molecular FormulaC15H14ClIN2
Molecular Weight384.65 g/mol
Exact Mass383.99
IUPAC Name4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine
SMILESClc1nc(CCc2ccccc2)nc(C2CC2)c1I
InChIInChI=1S/C15H14ClIN2/c16-15-13(17)14(11-7-8-11)18-12(19-15)9-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyODNVKHZMFRVVMY-UHFFFAOYSA-N
XLogP4.40
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine (CID 66293287) is 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine is Clc1nc(CCc2ccccc2)nc(C2CC2)c1I.
What is the InChIKey of 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine?
The InChIKey is ODNVKHZMFRVVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2/c16-15-13(17)14(11-7-8-11)18-12(19-15)9-6-10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine?
4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine has a molecular weight of 384.65 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-5-iodo-2-(2-phenylethyl)pyrimidine is sourced from PubChem (CID 66293287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).