2,6-diamino-1-methylpyrimidine-4-thione

C5H8N4S — CID 19095472

IUPAC2,6-diamino-1-methylpyrimidine-4-thione
SMILESCn1c(N)cc(=S)nc1N
InChIInChI=1S/C5H8N4S/c1-9-3(6)2-4(10)8-5(9)7/h2H,6H2,1H3,(H2,7,8,10)
InChIKeyNFIPLRWDYDUHHT-UHFFFAOYSA-N
MW156.21 g/mol
LogP0.31
Rot. Bonds

About 2,6-diamino-1-methylpyrimidine-4-thione

2,6-diamino-1-methylpyrimidine-4-thione (PubChem CID 19095472) has the molecular formula C5H8N4S and a molecular weight of 156.21 g/mol. Its IUPAC name is 2,6-diamino-1-methylpyrimidine-4-thione.

Molecular Properties

Compound Name2,6-diamino-1-methylpyrimidine-4-thione
PubChem CID19095472
Molecular FormulaC5H8N4S
Molecular Weight156.21 g/mol
Exact Mass156.05
IUPAC Name2,6-diamino-1-methylpyrimidine-4-thione
SMILESCn1c(N)cc(=S)nc1N
InChIInChI=1S/C5H8N4S/c1-9-3(6)2-4(10)8-5(9)7/h2H,6H2,1H3,(H2,7,8,10)
InChIKeyNFIPLRWDYDUHHT-UHFFFAOYSA-N
XLogP0.31
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2,6-diamino-1-methylpyrimidine-4-thione?
The IUPAC name of 2,6-diamino-1-methylpyrimidine-4-thione (CID 19095472) is 2,6-diamino-1-methylpyrimidine-4-thione.
What is the SMILES notation for 2,6-diamino-1-methylpyrimidine-4-thione?
The canonical SMILES for 2,6-diamino-1-methylpyrimidine-4-thione is Cn1c(N)cc(=S)nc1N.
What is the InChIKey of 2,6-diamino-1-methylpyrimidine-4-thione?
The InChIKey is NFIPLRWDYDUHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N4S/c1-9-3(6)2-4(10)8-5(9)7/h2H,6H2,1H3,(H2,7,8,10).
What are the key properties of 2,6-diamino-1-methylpyrimidine-4-thione?
2,6-diamino-1-methylpyrimidine-4-thione has a molecular weight of 156.21 g/mol, XLogP of 0.31, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-diamino-1-methylpyrimidine-4-thione is sourced from PubChem (CID 19095472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).