4-amino-2-methylpyrimidine-5-carbothioamide

C6H8N4S — CID 4034176

IUPAC4-amino-2-methylpyrimidine-5-carbothioamide
SMILESCc1ncc(C(N)=S)c(N)n1
InChIInChI=1S/C6H8N4S/c1-3-9-2-4(6(8)11)5(7)10-3/h2H,1H3,(H2,8,11)(H2,7,9,10)
InChIKeyHYRSYLSTXKOYMA-UHFFFAOYSA-N
MW168.22 g/mol
LogP0.00
Rot. Bonds1

About 4-amino-2-methylpyrimidine-5-carbothioamide

4-amino-2-methylpyrimidine-5-carbothioamide (PubChem CID 4034176) has the molecular formula C6H8N4S and a molecular weight of 168.22 g/mol. Its IUPAC name is 4-amino-2-methylpyrimidine-5-carbothioamide.

Molecular Properties

Compound Name4-amino-2-methylpyrimidine-5-carbothioamide
PubChem CID4034176
Molecular FormulaC6H8N4S
Molecular Weight168.22 g/mol
Exact Mass168.05
IUPAC Name4-amino-2-methylpyrimidine-5-carbothioamide
SMILESCc1ncc(C(N)=S)c(N)n1
InChIInChI=1S/C6H8N4S/c1-3-9-2-4(6(8)11)5(7)10-3/h2H,1H3,(H2,8,11)(H2,7,9,10)
InChIKeyHYRSYLSTXKOYMA-UHFFFAOYSA-N
XLogP0.00
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methylpyrimidine-5-carbothioamide?
The IUPAC name of 4-amino-2-methylpyrimidine-5-carbothioamide (CID 4034176) is 4-amino-2-methylpyrimidine-5-carbothioamide.
What is the SMILES notation for 4-amino-2-methylpyrimidine-5-carbothioamide?
The canonical SMILES for 4-amino-2-methylpyrimidine-5-carbothioamide is Cc1ncc(C(N)=S)c(N)n1.
What is the InChIKey of 4-amino-2-methylpyrimidine-5-carbothioamide?
The InChIKey is HYRSYLSTXKOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N4S/c1-3-9-2-4(6(8)11)5(7)10-3/h2H,1H3,(H2,8,11)(H2,7,9,10).
What are the key properties of 4-amino-2-methylpyrimidine-5-carbothioamide?
4-amino-2-methylpyrimidine-5-carbothioamide has a molecular weight of 168.22 g/mol, XLogP of 0.00, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methylpyrimidine-5-carbothioamide is sourced from PubChem (CID 4034176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).