5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine

C12H18IN3O — CID 66304985

IUPAC5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2CCCO2)nc(NC)c1I
InChIInChI=1S/C12H18IN3O/c1-3-5-8-10(13)12(14-2)16-11(15-8)9-6-4-7-17-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVRUZLNWLQQNTND-UHFFFAOYSA-N
MW347.20 g/mol
LogP2.93
Rot. Bonds4

About 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine

5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine (PubChem CID 66304985) has the molecular formula C12H18IN3O and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
PubChem CID66304985
Molecular FormulaC12H18IN3O
Molecular Weight347.20 g/mol
Exact Mass347.05
IUPAC Name5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine
SMILESCCCc1nc(C2CCCO2)nc(NC)c1I
InChIInChI=1S/C12H18IN3O/c1-3-5-8-10(13)12(14-2)16-11(15-8)9-6-4-7-17-9/h9H,3-7H2,1-2H3,(H,14,15,16)
InChIKeyVRUZLNWLQQNTND-UHFFFAOYSA-N
XLogP2.93
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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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Frequently Asked Questions

What is the IUPAC name of 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine (CID 66304985) is 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine is CCCc1nc(C2CCCO2)nc(NC)c1I.
What is the InChIKey of 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
The InChIKey is VRUZLNWLQQNTND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18IN3O/c1-3-5-8-10(13)12(14-2)16-11(15-8)9-6-4-7-17-9/h9H,3-7H2,1-2H3,(H,14,15,16).
What are the key properties of 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine?
5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine has a molecular weight of 347.20 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-N-methyl-2-(oxolan-2-yl)-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66304985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).