4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine

C12H16ClIN2O — CID 116746300

IUPAC4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
SMILESCOC(c1ncc(I)c(Cl)n1)C1CCCCC1
InChIInChI=1S/C12H16ClIN2O/c1-17-10(8-5-3-2-4-6-8)12-15-7-9(14)11(13)16-12/h7-8,10H,2-6H2,1H3
InChIKeyQPEWCKDUNATUFY-UHFFFAOYSA-N
MW366.63 g/mol
LogP4.00
Rot. Bonds3

About 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine

4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine (PubChem CID 116746300) has the molecular formula C12H16ClIN2O and a molecular weight of 366.63 g/mol. Its IUPAC name is 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine.

Molecular Properties

Compound Name4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
PubChem CID116746300
Molecular FormulaC12H16ClIN2O
Molecular Weight366.63 g/mol
Exact Mass366.00
IUPAC Name4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
SMILESCOC(c1ncc(I)c(Cl)n1)C1CCCCC1
InChIInChI=1S/C12H16ClIN2O/c1-17-10(8-5-3-2-4-6-8)12-15-7-9(14)11(13)16-12/h7-8,10H,2-6H2,1H3
InChIKeyQPEWCKDUNATUFY-UHFFFAOYSA-N
XLogP4.00
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.63
LogP ≤ 54.00
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-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
CID 116777085
4,6-dichloro-2-[cyclohexyl(methoxy)methyl]-5-ethylpyrimidine
CID 116745974
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116746394
[2-[cyclohexyl(methoxy)methyl]pyrimidin-5-yl]methanol
CID 116779001
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydrocyclohepta[d]pyrimidin-5-one
CID 107384687
4-chloro-2-[cyclohexyl(methoxy)methyl]-5,6-dimethylthieno[2,3-d]pyrimidine
CID 116740150
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384930
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
CID 116705149
1-[2-[cyclopropyl(methoxy)methyl]-4-methylpyrimidin-5-yl]-N-methylethanamine
CID 116731318
1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
CID 116779150
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine?
The IUPAC name of 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine (CID 116746300) is 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine.
What is the SMILES notation for 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine?
The canonical SMILES for 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine is COC(c1ncc(I)c(Cl)n1)C1CCCCC1.
What is the InChIKey of 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine?
The InChIKey is QPEWCKDUNATUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClIN2O/c1-17-10(8-5-3-2-4-6-8)12-15-7-9(14)11(13)16-12/h7-8,10H,2-6H2,1H3.
What are the key properties of 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine?
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine has a molecular weight of 366.63 g/mol, XLogP of 4.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine is sourced from PubChem (CID 116746300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).