4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine

C12H18ClIN2O — CID 116746099

IUPAC4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
SMILESCCOC(CC)(CC)c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C12H18ClIN2O/c1-5-12(6-2,17-7-3)11-15-8(4)9(14)10(13)16-11/h5-7H2,1-4H3
InChIKeyQIGIUYAMCMCPBW-UHFFFAOYSA-N
MW368.65 g/mol
LogP4.09
Rot. Bonds5

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

4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine (PubChem CID 116746099) has the molecular formula C12H18ClIN2O and a molecular weight of 368.65 g/mol. Its IUPAC name is 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
PubChem CID116746099
Molecular FormulaC12H18ClIN2O
Molecular Weight368.65 g/mol
Exact Mass368.02
IUPAC Name4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine
SMILESCCOC(CC)(CC)c1nc(C)c(I)c(Cl)n1
InChIInChI=1S/C12H18ClIN2O/c1-5-12(6-2,17-7-3)11-15-8(4)9(14)10(13)16-11/h5-7H2,1-4H3
InChIKeyQIGIUYAMCMCPBW-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.65
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-ethoxypentan-3-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 116776545
2-tert-butyl-4-chloro-5-iodo-6-methylpyrimidine
CID 66294575
4-chloro-2-(3-ethoxypentan-3-yl)-5,6-dimethylthieno[2,3-d]pyrimidine
CID 116740151
2-[2-(3-ethoxypentan-3-yl)-4,6-dimethylpyrimidin-5-yl]-N-methylethanamine
CID 116779353
5-bromo-2-(3-ethoxypentan-3-yl)-N,6-dimethylpyrimidin-4-amine
CID 116776475
5-bromo-4-chloro-2-(3-ethoxypentan-3-yl)-6-(2-methylpropyl)pyrimidine
CID 116746381
2-(3-ethoxypentan-3-yl)-4-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 114737863
2-(3-ethoxypentan-3-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 116775839
5-bromo-2-(3-ethoxypentan-3-yl)-N-ethyl-6-methylpyrimidin-4-amine
CID 116776495
4-chloro-2-(3-ethoxypentan-3-yl)-6-propylpyrimidine
CID 116745694
4-chloro-2-(3-ethoxypentan-3-yl)-6-(methoxymethyl)pyrimidine
CID 116745855
1-[2-(3-ethoxypentan-3-yl)-4-methyl-1,3-thiazol-5-yl]-N-methylmethanamine
CID 116777834

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine (CID 116746099) is 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine is CCOC(CC)(CC)c1nc(C)c(I)c(Cl)n1.
What is the InChIKey of 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine?
The InChIKey is QIGIUYAMCMCPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClIN2O/c1-5-12(6-2,17-7-3)11-15-8(4)9(14)10(13)16-11/h5-7H2,1-4H3.
What are the key properties of 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine?
4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine has a molecular weight of 368.65 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(3-ethoxypentan-3-yl)-5-iodo-6-methylpyrimidine is sourced from PubChem (CID 116746099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).