5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine

C11H16IN3O2 — CID 66302403

IUPAC5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOCC2)nc(N)c1I
InChIInChI=1S/C11H16IN3O2/c1-16-6-8-9(12)10(13)15-11(14-8)7-2-4-17-5-3-7/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyOMAMJFAAWLZRTP-UHFFFAOYSA-N
MW349.17 g/mol
LogP1.70
Rot. Bonds3

About 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine (PubChem CID 66302403) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
PubChem CID66302403
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCOCC2)nc(N)c1I
InChIInChI=1S/C11H16IN3O2/c1-16-6-8-9(12)10(13)15-11(14-8)7-2-4-17-5-3-7/h7H,2-6H2,1H3,(H2,13,14,15)
InChIKeyOMAMJFAAWLZRTP-UHFFFAOYSA-N
XLogP1.70
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036
5-bromo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine
CID 66298788
5-iodo-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66304447
5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
CID 82839731
2-(1,1-dioxothiolan-3-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 113289859
2-(2,3-dihydro-1H-inden-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66301791
2-(4-ethylmorpholin-2-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 79669669
2-(2,3-dihydro-1H-inden-1-yl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303839
5-bromo-6-(methoxymethyl)-2-(4-methylcyclohexyl)pyrimidin-4-amine
CID 66300160
5-bromo-2-(4-tert-butylcyclohexyl)-6-(methoxymethyl)pyrimidin-4-amine
CID 66298196
N-ethyl-5-iodo-6-(methoxymethyl)-2-(oxan-3-yl)pyrimidin-4-amine
CID 66302625
2-cyclopropyl-5-iodo-6-methylpyrimidin-4-amine
CID 66307285

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine (CID 66302403) is 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine is COCc1nc(C2CCOCC2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
The InChIKey is OMAMJFAAWLZRTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-16-6-8-9(12)10(13)15-11(14-8)7-2-4-17-5-3-7/h7H,2-6H2,1H3,(H2,13,14,15).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine has a molecular weight of 349.17 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-(oxan-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 66302403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).