4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine

C12H16ClIN2 — CID 66294162

IUPAC4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
SMILESCc1nc(C2CCC(C)CC2)nc(Cl)c1I
InChIInChI=1S/C12H16ClIN2/c1-7-3-5-9(6-4-7)12-15-8(2)10(14)11(13)16-12/h7,9H,3-6H2,1-2H3
InChIKeyQLERDGMRJLSNSI-UHFFFAOYSA-N
MW350.63 g/mol
LogP4.34
Rot. Bonds1

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

4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine (PubChem CID 66294162) has the molecular formula C12H16ClIN2 and a molecular weight of 350.63 g/mol. Its IUPAC name is 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
PubChem CID66294162
Molecular FormulaC12H16ClIN2
Molecular Weight350.63 g/mol
Exact Mass350.00
IUPAC Name4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
SMILESCc1nc(C2CCC(C)CC2)nc(Cl)c1I
InChIInChI=1S/C12H16ClIN2/c1-7-3-5-9(6-4-7)12-15-8(2)10(14)11(13)16-12/h7,9H,3-6H2,1-2H3
InChIKeyQLERDGMRJLSNSI-UHFFFAOYSA-N
XLogP4.34
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.63
LogP ≤ 54.34
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-(4-methylcyclohexyl)pyrimidine?
The IUPAC name of 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine (CID 66294162) is 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
The canonical SMILES for 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine is Cc1nc(C2CCC(C)CC2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
The InChIKey is QLERDGMRJLSNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2/c1-7-3-5-9(6-4-7)12-15-8(2)10(14)11(13)16-12/h7,9H,3-6H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine?
4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine has a molecular weight of 350.63 g/mol, XLogP of 4.34, 1 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-(4-methylcyclohexyl)pyrimidine is sourced from PubChem (CID 66294162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).