4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine

C11H10ClIN4 — CID 66292753

IUPAC4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
SMILESCCCc1nc(-c2ncccn2)nc(Cl)c1I
InChIInChI=1S/C11H10ClIN4/c1-2-4-7-8(13)9(12)17-11(16-7)10-14-5-3-6-15-10/h3,5-6H,2,4H2,1H3
InChIKeyDYDQSSRACUGRPM-UHFFFAOYSA-N
MW360.59 g/mol
LogP3.14
Rot. Bonds3

About 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine

4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine (PubChem CID 66292753) has the molecular formula C11H10ClIN4 and a molecular weight of 360.59 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
PubChem CID66292753
Molecular FormulaC11H10ClIN4
Molecular Weight360.59 g/mol
Exact Mass359.96
IUPAC Name4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine
SMILESCCCc1nc(-c2ncccn2)nc(Cl)c1I
InChIInChI=1S/C11H10ClIN4/c1-2-4-7-8(13)9(12)17-11(16-7)10-14-5-3-6-15-10/h3,5-6H,2,4H2,1H3
InChIKeyDYDQSSRACUGRPM-UHFFFAOYSA-N
XLogP3.14
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.59
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-propyl-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine (CID 66292753) is 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine is CCCc1nc(-c2ncccn2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine?
The InChIKey is DYDQSSRACUGRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClIN4/c1-2-4-7-8(13)9(12)17-11(16-7)10-14-5-3-6-15-10/h3,5-6H,2,4H2,1H3.
What are the key properties of 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine?
4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine has a molecular weight of 360.59 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-iodo-6-propyl-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 66292753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).