2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

C11H18IN3S — CID 66306899

IUPAC2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCCC(C)SCc1nc(C)c(I)c(NC)n1
InChIInChI=1S/C11H18IN3S/c1-5-7(2)16-6-9-14-8(3)10(12)11(13-4)15-9/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyODIZZHDNCLLRPJ-UHFFFAOYSA-N
MW351.26 g/mol
LogP3.46
Rot. Bonds5

About 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine

2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (PubChem CID 66306899) has the molecular formula C11H18IN3S and a molecular weight of 351.26 g/mol. Its IUPAC name is 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
PubChem CID66306899
Molecular FormulaC11H18IN3S
Molecular Weight351.26 g/mol
Exact Mass351.03
IUPAC Name2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine
SMILESCCC(C)SCc1nc(C)c(I)c(NC)n1
InChIInChI=1S/C11H18IN3S/c1-5-7(2)16-6-9-14-8(3)10(12)11(13-4)15-9/h7H,5-6H2,1-4H3,(H,13,14,15)
InChIKeyODIZZHDNCLLRPJ-UHFFFAOYSA-N
XLogP3.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.26
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(butan-2-ylsulfanylmethyl)-5-iodo-N-methyl-6-propylpyrimidin-4-amine
CID 66306382
1-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-methylmethanamine
CID 65141299
[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methanamine
CID 65141039
5-ethyl-N,6-dimethyl-2-(propan-2-ylsulfanylmethyl)pyrimidin-4-amine
CID 65131341
N-[[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 65141350
5-iodo-N,6-dimethyl-2-[(4-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66305916
5-iodo-N-methyl-2-(propan-2-ylsulfanylmethyl)-6-propylpyrimidin-4-amine
CID 66305990
2-[(2-bromophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66307296
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306504
2-(butan-2-ylsulfanylmethyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 65141140
3-[2-(butan-2-ylsulfanylmethyl)-4,6-dimethylpyrimidin-5-yl]-N-propylpropan-1-amine
CID 65141095
5-iodo-N,6-dimethyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66306900

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine (CID 66306899) is 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is CCC(C)SCc1nc(C)c(I)c(NC)n1.
What is the InChIKey of 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
The InChIKey is ODIZZHDNCLLRPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18IN3S/c1-5-7(2)16-6-9-14-8(3)10(12)11(13-4)15-9/h7H,5-6H2,1-4H3,(H,13,14,15).
What are the key properties of 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine?
2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine has a molecular weight of 351.26 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylsulfanylmethyl)-5-iodo-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 66306899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).