4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine

C15H14ClIN2 — CID 66292727

IUPAC4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine
SMILESCc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1I
InChIInChI=1S/C15H14ClIN2/c1-10-12(17)13(16)19-14(18-10)15(8-5-9-15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyDLERQIWFDFVSGO-UHFFFAOYSA-N
MW384.65 g/mol
LogP4.51
Rot. Bonds2

About 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine

4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine (PubChem CID 66292727) has the molecular formula C15H14ClIN2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine
PubChem CID66292727
Molecular FormulaC15H14ClIN2
Molecular Weight384.65 g/mol
Exact Mass383.99
IUPAC Name4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine
SMILESCc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1I
InChIInChI=1S/C15H14ClIN2/c1-10-12(17)13(16)19-14(18-10)15(8-5-9-15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3
InChIKeyDLERQIWFDFVSGO-UHFFFAOYSA-N
XLogP4.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.65
LogP ≤ 54.51
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-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine (CID 66292727) is 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine is Cc1nc(C2(c3ccccc3)CCC2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine?
The InChIKey is DLERQIWFDFVSGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClIN2/c1-10-12(17)13(16)19-14(18-10)15(8-5-9-15)11-6-3-2-4-7-11/h2-4,6-7H,5,8-9H2,1H3.
What are the key properties of 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine?
4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine has a molecular weight of 384.65 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-methyl-2-(1-phenylcyclobutyl)pyrimidine is sourced from PubChem (CID 66292727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).