5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine

C10H16IN3O — CID 79616383

IUPAC5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)OC)nc(N)c1I
InChIInChI=1S/C10H16IN3O/c1-4-5-7-8(11)9(12)14-10(13-7)6(2)15-3/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyJVBSTCZDKOEGEE-UHFFFAOYSA-N
MW321.16 g/mol
LogP2.32
Rot. Bonds4

About 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine

5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine (PubChem CID 79616383) has the molecular formula C10H16IN3O and a molecular weight of 321.16 g/mol. Its IUPAC name is 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine
PubChem CID79616383
Molecular FormulaC10H16IN3O
Molecular Weight321.16 g/mol
Exact Mass321.03
IUPAC Name5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C(C)OC)nc(N)c1I
InChIInChI=1S/C10H16IN3O/c1-4-5-7-8(11)9(12)14-10(13-7)6(2)15-3/h6H,4-5H2,1-3H3,(H2,12,13,14)
InChIKeyJVBSTCZDKOEGEE-UHFFFAOYSA-N
XLogP2.32
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.16
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine (CID 79616383) is 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine is CCCc1nc(C(C)OC)nc(N)c1I.
What is the InChIKey of 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine?
The InChIKey is JVBSTCZDKOEGEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3O/c1-4-5-7-8(11)9(12)14-10(13-7)6(2)15-3/h6H,4-5H2,1-3H3,(H2,12,13,14).
What are the key properties of 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine?
5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine has a molecular weight of 321.16 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(1-methoxyethyl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 79616383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).