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

C11H16IN3O2 — CID 82839731

IUPAC5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C)O2)nc(N)c1I
InChIInChI=1S/C11H16IN3O2/c1-6-3-4-8(17-6)11-14-7(5-16-2)9(12)10(13)15-11/h6,8H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyDPUVSASKPADSDX-UHFFFAOYSA-N
MW349.17 g/mol
LogP2.05
Rot. Bonds3

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

5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine (PubChem CID 82839731) has the molecular formula C11H16IN3O2 and a molecular weight of 349.17 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
PubChem CID82839731
Molecular FormulaC11H16IN3O2
Molecular Weight349.17 g/mol
Exact Mass349.03
IUPAC Name5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine
SMILESCOCc1nc(C2CCC(C)O2)nc(N)c1I
InChIInChI=1S/C11H16IN3O2/c1-6-3-4-8(17-6)11-14-7(5-16-2)9(12)10(13)15-11/h6,8H,3-5H2,1-2H3,(H2,13,14,15)
InChIKeyDPUVSASKPADSDX-UHFFFAOYSA-N
XLogP2.05
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 ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine (CID 82839731) is 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine is COCc1nc(C2CCC(C)O2)nc(N)c1I.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
The InChIKey is DPUVSASKPADSDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16IN3O2/c1-6-3-4-8(17-6)11-14-7(5-16-2)9(12)10(13)15-11/h6,8H,3-5H2,1-2H3,(H2,13,14,15).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(5-methyloxolan-2-yl)pyrimidin-4-amine has a molecular weight of 349.17 g/mol, XLogP of 2.05, 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-(5-methyloxolan-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 82839731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).