2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

C12H21IN4 — CID 79089362

IUPAC2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(CN(C)C)nc(C(C)C)c1I
InChIInChI=1S/C12H21IN4/c1-6-14-12-10(13)11(8(2)3)15-9(16-12)7-17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyVMATVXCPBRJYJP-UHFFFAOYSA-N
MW348.23 g/mol
LogP2.70
Rot. Bonds5

About 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine

2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 79089362) has the molecular formula C12H21IN4 and a molecular weight of 348.23 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID79089362
Molecular FormulaC12H21IN4
Molecular Weight348.23 g/mol
Exact Mass348.08
IUPAC Name2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(CN(C)C)nc(C(C)C)c1I
InChIInChI=1S/C12H21IN4/c1-6-14-12-10(13)11(8(2)3)15-9(16-12)7-17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16)
InChIKeyVMATVXCPBRJYJP-UHFFFAOYSA-N
XLogP2.70
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 52.70
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 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 79089362) is 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(CN(C)C)nc(C(C)C)c1I.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is VMATVXCPBRJYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21IN4/c1-6-14-12-10(13)11(8(2)3)15-9(16-12)7-17(4)5/h8H,6-7H2,1-5H3,(H,14,15,16).
What are the key properties of 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 348.23 g/mol, XLogP of 2.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 79089362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).