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

C15H24IN3S2 — CID 103346661

IUPAC2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CSC(C)C(C)S2)nc(C(C)C)c1I
InChIInChI=1S/C15H24IN3S2/c1-6-17-15-12(16)13(8(2)3)18-14(19-15)11-7-20-9(4)10(5)21-11/h8-11H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyZJGZMRBNNCOLIS-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.93
Rot. Bonds4

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

2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (PubChem CID 103346661) 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)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
PubChem CID103346661
Molecular FormulaC15H24IN3S2
Molecular Weight437.42 g/mol
Exact Mass437.05
IUPAC Name2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1nc(C2CSC(C)C(C)S2)nc(C(C)C)c1I
InChIInChI=1S/C15H24IN3S2/c1-6-17-15-12(16)13(8(2)3)18-14(19-15)11-7-20-9(4)10(5)21-11/h8-11H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyZJGZMRBNNCOLIS-UHFFFAOYSA-N
XLogP4.93
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 54.93
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)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-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)-N-ethyl-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 103346617
2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107925723
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-ethyl-5-iodo-N-propylpyrimidin-4-amine
CID 103346655
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-diethylpyrimidin-4-amine
CID 103346600
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 115388629
2-(1,4-diazabicyclo[2.2.2]octan-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 79961334
6-cyclopropyl-2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-N-methylpyrimidin-4-amine
CID 103346677
2-(5,6-dimethyl-1,4-dithian-2-yl)-5-iodo-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 103346666
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)-6-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 103346626
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-N,6-dimethylpyrimidin-4-amine
CID 103346631

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine (CID 103346661) is 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is CCNc1nc(C2CSC(C)C(C)S2)nc(C(C)C)c1I.
What is the InChIKey of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is ZJGZMRBNNCOLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3S2/c1-6-17-15-12(16)13(8(2)3)18-14(19-15)11-7-20-9(4)10(5)21-11/h8-11H,6-7H2,1-5H3,(H,17,18,19).
What are the key properties of 2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine?
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 437.42 g/mol, XLogP of 4.93, 4 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)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 103346661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).