4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine

C14H12ClIN2 — CID 79980471

IUPAC4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2cccc(C3CC3)c2)nc(Cl)c1I
InChIInChI=1S/C14H12ClIN2/c1-8-12(16)13(15)18-14(17-8)11-4-2-3-10(7-11)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyVYRQYLHJBZDYRK-UHFFFAOYSA-N
MW370.62 g/mol
LogP4.59
Rot. Bonds2

About 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine

4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine (PubChem CID 79980471) has the molecular formula C14H12ClIN2 and a molecular weight of 370.62 g/mol. Its IUPAC name is 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine
PubChem CID79980471
Molecular FormulaC14H12ClIN2
Molecular Weight370.62 g/mol
Exact Mass369.97
IUPAC Name4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine
SMILESCc1nc(-c2cccc(C3CC3)c2)nc(Cl)c1I
InChIInChI=1S/C14H12ClIN2/c1-8-12(16)13(15)18-14(17-8)11-4-2-3-10(7-11)9-5-6-9/h2-4,7,9H,5-6H2,1H3
InChIKeyVYRQYLHJBZDYRK-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.62
LogP ≤ 54.59
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-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine (CID 79980471) is 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine is Cc1nc(-c2cccc(C3CC3)c2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine?
The InChIKey is VYRQYLHJBZDYRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClIN2/c1-8-12(16)13(15)18-14(17-8)11-4-2-3-10(7-11)9-5-6-9/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine?
4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine has a molecular weight of 370.62 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-cyclopropylphenyl)-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 79980471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).