2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine

C12H18IN3O — CID 116777085

IUPAC2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
SMILESCOC(c1ncc(I)c(N)n1)C1CCCCC1
InChIInChI=1S/C12H18IN3O/c1-17-10(8-5-3-2-4-6-8)12-15-7-9(13)11(14)16-12/h7-8,10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyIGLKIAZIZCOJJO-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.93
Rot. Bonds3

About 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine

2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine (PubChem CID 116777085) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine.

Molecular Properties

Compound Name2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
PubChem CID116777085
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine
SMILESCOC(c1ncc(I)c(N)n1)C1CCCCC1
InChIInChI=1S/C12H18IN3O/c1-17-10(8-5-3-2-4-6-8)12-15-7-9(13)11(14)16-12/h7-8,10H,2-6H2,1H3,(H2,14,15,16)
InChIKeyIGLKIAZIZCOJJO-UHFFFAOYSA-N
XLogP2.93
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.20
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidine
CID 116746300
2-[cyclohexyl(methoxy)methyl]-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-5-amine
CID 107384930
2-[cyclopropyl(methoxy)methyl]pyrimidin-5-amine
CID 116705149
[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
3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-amine
CID 116743450
2-[cyclohexyl(methoxy)methyl]-6-methylpyrimidin-4-amine
CID 116775559
1-[2-[cyclohexyl(methoxy)methyl]pyrimidin-4-yl]propan-2-amine
CID 116779150
2-cyclopentyl-5-iodopyrimidin-4-amine
CID 66303504
5-[3-[cyclohexyl(methoxy)methyl]-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 116743414
4-chloro-2-[cyclohexyl(methoxy)methyl]-5-iodo-6-(2-methylpropyl)pyrimidine
CID 116746394
[2-[cyclopropyl(methoxy)methyl]-4-propylpyrimidin-5-yl]methanol
CID 114205020

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine?
The IUPAC name of 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine (CID 116777085) is 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine.
What is the SMILES notation for 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine?
The canonical SMILES for 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine is COC(c1ncc(I)c(N)n1)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine?
The InChIKey is IGLKIAZIZCOJJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-17-10(8-5-3-2-4-6-8)12-15-7-9(13)11(14)16-12/h7-8,10H,2-6H2,1H3,(H2,14,15,16).
What are the key properties of 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine?
2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(methoxy)methyl]-5-iodopyrimidin-4-amine is sourced from PubChem (CID 116777085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).