4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine

C15H22ClIN2 — CID 66293573

IUPAC4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C2CCCC(CC)C2)nc(Cl)c1I
InChIInChI=1S/C15H22ClIN2/c1-3-6-12-13(17)14(16)19-15(18-12)11-8-5-7-10(4-2)9-11/h10-11H,3-9H2,1-2H3
InChIKeyKZHNQVZVAKVCFP-UHFFFAOYSA-N
MW392.71 g/mol
LogP5.37
Rot. Bonds4

About 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine

4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine (PubChem CID 66293573) has the molecular formula C15H22ClIN2 and a molecular weight of 392.71 g/mol. Its IUPAC name is 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine
PubChem CID66293573
Molecular FormulaC15H22ClIN2
Molecular Weight392.71 g/mol
Exact Mass392.05
IUPAC Name4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine
SMILESCCCc1nc(C2CCCC(CC)C2)nc(Cl)c1I
InChIInChI=1S/C15H22ClIN2/c1-3-6-12-13(17)14(16)19-15(18-12)11-8-5-7-10(4-2)9-11/h10-11H,3-9H2,1-2H3
InChIKeyKZHNQVZVAKVCFP-UHFFFAOYSA-N
XLogP5.37
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.71
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
CID 66295009
3-(4-chloro-5-iodo-6-propylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336183
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250
5-bromo-4-tert-butyl-6-chloro-2-(3-ethylcyclohexyl)pyrimidine
CID 66294812
6-cyclopropyl-2-(3-ethylcyclohexyl)-5-iodopyrimidin-4-amine
CID 66304402
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
5-bromo-4,6-dichloro-2-(3-ethylcyclopentyl)pyrimidine
CID 66314551
3-(3-ethylcyclohexyl)-5-iodo-1,2,4-thiadiazole
CID 102618664
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 66292595
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
6-ethyl-2-(3-ethylcyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 65413827

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine (CID 66293573) is 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine is CCCc1nc(C2CCCC(CC)C2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine?
The InChIKey is KZHNQVZVAKVCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClIN2/c1-3-6-12-13(17)14(16)19-15(18-12)11-8-5-7-10(4-2)9-11/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine?
4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine has a molecular weight of 392.71 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine is sourced from PubChem (CID 66293573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).