2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

C15H24IN3S2 — CID 103346655

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CSC(C)C(C)S2)nc(CC)c1I
InChIInChI=1S/C15H24IN3S2/c1-5-7-17-15-13(16)11(6-2)18-14(19-15)12-8-20-9(3)10(4)21-12/h9-10,12H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyASIHDYJXNYUVJC-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.76
Rot. Bonds5

About 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine

2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (PubChem CID 103346655) has the molecular formula C15H24IN3S2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
PubChem CID103346655
Molecular FormulaC15H24IN3S2
Molecular Weight437.42 g/mol
Exact Mass437.05
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2CSC(C)C(C)S2)nc(CC)c1I
InChIInChI=1S/C15H24IN3S2/c1-5-7-17-15-13(16)11(6-2)18-14(19-15)12-8-20-9(3)10(4)21-12/h9-10,12H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyASIHDYJXNYUVJC-UHFFFAOYSA-N
XLogP4.76
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 103346626
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 103346672
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103346666
2-cyclobutyl-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66299102
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 66300871
6-ethyl-5-methyl-N-propyl-2-(thian-2-yl)pyrimidin-4-amine
CID 80638386
2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine
CID 103346600
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 103346617
6-cyclopropyl-5-iodo-N-propyl-2-(thiolan-2-yl)pyrimidin-4-amine
CID 80638585
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 103346631
6-tert-butyl-2-(1,4-dithian-2-yl)-5-iodo-N-propylpyrimidin-4-amine
CID 79961478

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine (CID 103346655) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is CCCNc1nc(C2CSC(C)C(C)S2)nc(CC)c1I.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
The InChIKey is ASIHDYJXNYUVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3S2/c1-5-7-17-15-13(16)11(6-2)18-14(19-15)12-8-20-9(3)10(4)21-12/h9-10,12H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine?
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine has a molecular weight of 437.42 g/mol, XLogP of 4.76, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine is sourced from PubChem (CID 103346655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).