5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine

C10H16IN3OS — CID 66301171

IUPAC5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nc(N)c(I)c(COC)n1
InChIInChI=1S/C10H16IN3OS/c1-3-4-16-6-8-13-7(5-15-2)9(11)10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyBEFZIEXCNJQRMR-UHFFFAOYSA-N
MW353.23 g/mol
LogP2.45
Rot. Bonds6

About 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine

5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66301171) has the molecular formula C10H16IN3OS and a molecular weight of 353.23 g/mol. Its IUPAC name is 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66301171
Molecular FormulaC10H16IN3OS
Molecular Weight353.23 g/mol
Exact Mass353.01
IUPAC Name5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine
SMILESCCCSCc1nc(N)c(I)c(COC)n1
InChIInChI=1S/C10H16IN3OS/c1-3-4-16-6-8-13-7(5-15-2)9(11)10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14)
InChIKeyBEFZIEXCNJQRMR-UHFFFAOYSA-N
XLogP2.45
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-iodo-6-(methoxymethyl)-N-methyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66301999
5-bromo-6-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66300996
2-[(2-fluorophenyl)sulfanylmethyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302611
2-[(3,5-dimethylphenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303635
2-[(4-bromophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66302197
5-iodo-6-(methoxymethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrimidin-4-amine
CID 66301993
2-(4-ethylsulfanylphenyl)-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 106849572
ethyl 4-amino-6-methyl-2-(propylsulfanylmethyl)pyrimidine-5-carboxylate
CID 116647749
2-cycloheptyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66304036
6-ethyl-5-iodo-2-propylpyrimidin-4-amine
CID 66298675
5-iodo-6-(methoxymethyl)-2-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66304447
2-[(2-chloro-4-fluorophenyl)methyl]-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 66303631

Frequently Asked Questions

What is the IUPAC name of 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine (CID 66301171) is 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine is CCCSCc1nc(N)c(I)c(COC)n1.
What is the InChIKey of 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is BEFZIEXCNJQRMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16IN3OS/c1-3-4-16-6-8-13-7(5-15-2)9(11)10(12)14-8/h3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine?
5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 353.23 g/mol, XLogP of 2.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-6-(methoxymethyl)-2-(propylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66301171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).