2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione

C5H6IN3S — CID 3034978

IUPAC2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1I
InChIInChI=1S/C5H6IN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyQXDXJQCESHNQNX-UHFFFAOYSA-N
MW267.10 g/mol
LogP1.63
Rot. Bonds

About 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione

2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione (PubChem CID 3034978) has the molecular formula C5H6IN3S and a molecular weight of 267.10 g/mol. Its IUPAC name is 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione
PubChem CID3034978
Molecular FormulaC5H6IN3S
Molecular Weight267.10 g/mol
Exact Mass266.93
IUPAC Name2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N)nc(=S)c1I
InChIInChI=1S/C5H6IN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10)
InChIKeyQXDXJQCESHNQNX-UHFFFAOYSA-N
XLogP1.63
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.10
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione (CID 3034978) is 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione is Cc1[nH]c(N)nc(=S)c1I.
What is the InChIKey of 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione?
The InChIKey is QXDXJQCESHNQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6IN3S/c1-2-3(6)4(10)9-5(7)8-2/h1H3,(H3,7,8,9,10).
What are the key properties of 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione?
2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione has a molecular weight of 267.10 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-iodo-6-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 3034978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).