5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C15H24IN3S2 — CID 115388629

IUPAC5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2SCCSC2C)nc(C(C)C)c1I
InChIInChI=1S/C15H24IN3S2/c1-5-6-17-14-11(16)12(9(2)3)18-15(19-14)13-10(4)20-7-8-21-13/h9-10,13H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyRSYHWVLFVUSIHY-UHFFFAOYSA-N
MW437.42 g/mol
LogP4.94
Rot. Bonds5

About 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 115388629) has the molecular formula C15H24IN3S2 and a molecular weight of 437.42 g/mol. Its IUPAC name is 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID115388629
Molecular FormulaC15H24IN3S2
Molecular Weight437.42 g/mol
Exact Mass437.05
IUPAC Name5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C2SCCSC2C)nc(C(C)C)c1I
InChIInChI=1S/C15H24IN3S2/c1-5-6-17-14-11(16)12(9(2)3)18-15(19-14)13-10(4)20-7-8-21-13/h9-10,13H,5-8H2,1-4H3,(H,17,18,19)
InChIKeyRSYHWVLFVUSIHY-UHFFFAOYSA-N
XLogP4.94
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 ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methyl-1,4-dithian-2-yl)-N-propyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 115388521
5-iodo-2,6-di(propan-2-yl)-N-propylpyrimidin-4-amine
CID 66299368
2-(5,6-dimethyl-1,4-dithian-2-yl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 103346661
N-ethyl-5-iodo-6-(methoxymethyl)-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388640
5-iodo-2-(4-methylmorpholin-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79096567
5-iodo-2-(1-methoxy-2,2-dimethylpropyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 116729693
2-(2,2-dimethylcyclopropyl)-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 107925723
2-(ethoxymethyl)-5-iodo-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66300153
2-cycloheptyl-N-ethyl-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66301128
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
6-cyclopropyl-5-iodo-N-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388664
N,5-diethyl-6-methyl-2-(3-methyl-1,4-dithian-2-yl)pyrimidin-4-amine
CID 115388492

Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 115388629) is 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C2SCCSC2C)nc(C(C)C)c1I.
What is the InChIKey of 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is RSYHWVLFVUSIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24IN3S2/c1-5-6-17-14-11(16)12(9(2)3)18-15(19-14)13-10(4)20-7-8-21-13/h9-10,13H,5-8H2,1-4H3,(H,17,18,19).
What are the key properties of 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 437.42 g/mol, XLogP of 4.94, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 115388629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).