4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine

C10H11ClF3IN2 — CID 79954589

IUPAC4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCC(C)c1nc(CCC(F)(F)F)nc(Cl)c1I
InChIInChI=1S/C10H11ClF3IN2/c1-5(2)8-7(15)9(11)17-6(16-8)3-4-10(12,13)14/h5H,3-4H2,1-2H3
InChIKeyYZRLHLXHUIFGSH-UHFFFAOYSA-N
MW378.56 g/mol
LogP4.35
Rot. Bonds3

About 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine

4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine (PubChem CID 79954589) has the molecular formula C10H11ClF3IN2 and a molecular weight of 378.56 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine
PubChem CID79954589
Molecular FormulaC10H11ClF3IN2
Molecular Weight378.56 g/mol
Exact Mass377.96
IUPAC Name4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine
SMILESCC(C)c1nc(CCC(F)(F)F)nc(Cl)c1I
InChIInChI=1S/C10H11ClF3IN2/c1-5(2)8-7(15)9(11)17-6(16-8)3-4-10(12,13)14/h5H,3-4H2,1-2H3
InChIKeyYZRLHLXHUIFGSH-UHFFFAOYSA-N
XLogP4.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.56
LogP ≤ 54.35
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-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine (CID 79954589) is 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine is CC(C)c1nc(CCC(F)(F)F)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
The InChIKey is YZRLHLXHUIFGSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3IN2/c1-5(2)8-7(15)9(11)17-6(16-8)3-4-10(12,13)14/h5H,3-4H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine?
4-chloro-5-iodo-6-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine has a molecular weight of 378.56 g/mol, XLogP of 4.35, 3 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-propan-2-yl-2-(3,3,3-trifluoropropyl)pyrimidine is sourced from PubChem (CID 79954589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).