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

C13H18ClIN2 — CID 66295009

IUPAC4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
SMILESCCCc1nc(C2CCC(C)C2)nc(Cl)c1I
InChIInChI=1S/C13H18ClIN2/c1-3-4-10-11(15)12(14)17-13(16-10)9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyKCRWSVNTEDBZCB-UHFFFAOYSA-N
MW364.66 g/mol
LogP4.59
Rot. Bonds3

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

4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine (PubChem CID 66295009) has the molecular formula C13H18ClIN2 and a molecular weight of 364.66 g/mol. Its IUPAC name is 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
PubChem CID66295009
Molecular FormulaC13H18ClIN2
Molecular Weight364.66 g/mol
Exact Mass364.02
IUPAC Name4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine
SMILESCCCc1nc(C2CCC(C)C2)nc(Cl)c1I
InChIInChI=1S/C13H18ClIN2/c1-3-4-10-11(15)12(14)17-13(16-10)9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3
InChIKeyKCRWSVNTEDBZCB-UHFFFAOYSA-N
XLogP4.59
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.66
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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Related Compounds

4-chloro-2-(3-ethylcyclohexyl)-5-iodo-6-propylpyrimidine
CID 66293573
4,6-dichloro-2-(3-methylcyclohexyl)-5-propylpyrimidine
CID 63611823
3-(4-chloro-5-iodo-6-propylpyrimidin-2-yl)thiolane 1,1-dioxide
CID 115336183
5-bromo-4-chloro-2-cyclopropyl-6-propylpyrimidine
CID 66293970
4-chloro-5-iodo-6-methyl-2-(4-methylcyclohexyl)pyrimidine
CID 66294162
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
2-(4-tert-butylcyclohexyl)-4-chloro-6-ethyl-5-iodopyrimidine
CID 66292595
4,6-dichloro-5-cyclopentyl-2-(3-methylcyclopentyl)pyrimidine
CID 112569446
4,6-dichloro-2-(3-methylcyclopentyl)-5-phenylpyrimidine
CID 65430266
5-bromo-N-ethyl-2-(3-methylcyclopentyl)-6-propylpyrimidin-4-amine
CID 66305161
5-bromo-4-chloro-2-cyclohexyl-6-propylpyrimidine
CID 66292539
4,6-dichloro-5-(4-fluorophenyl)-2-(3-methylcyclopentyl)pyrimidine
CID 79431894

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine?
The IUPAC name of 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine (CID 66295009) is 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine.
What is the SMILES notation for 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine?
The canonical SMILES for 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine is CCCc1nc(C2CCC(C)C2)nc(Cl)c1I.
What is the InChIKey of 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine?
The InChIKey is KCRWSVNTEDBZCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClIN2/c1-3-4-10-11(15)12(14)17-13(16-10)9-6-5-8(2)7-9/h8-9H,3-7H2,1-2H3.
What are the key properties of 4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine?
4-chloro-5-iodo-2-(3-methylcyclopentyl)-6-propylpyrimidine has a molecular weight of 364.66 g/mol, XLogP of 4.59, 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-2-(3-methylcyclopentyl)-6-propylpyrimidine is sourced from PubChem (CID 66295009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).