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

C6H10N4S — CID 15200360

IUPAC4,6-diamino-1-ethylpyrimidine-2-thione
SMILESCCn1c(N)cc(N)nc1=S
InChIInChI=1S/C6H10N4S/c1-2-10-5(8)3-4(7)9-6(10)11/h3H,2,8H2,1H3,(H2,7,9,11)
InChIKeyCRZQJCIJABSVPM-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.80
Rot. Bonds1

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

4,6-diamino-1-ethylpyrimidine-2-thione (PubChem CID 15200360) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 4,6-diamino-1-ethylpyrimidine-2-thione.

Molecular Properties

Compound Name4,6-diamino-1-ethylpyrimidine-2-thione
PubChem CID15200360
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name4,6-diamino-1-ethylpyrimidine-2-thione
SMILESCCn1c(N)cc(N)nc1=S
InChIInChI=1S/C6H10N4S/c1-2-10-5(8)3-4(7)9-6(10)11/h3H,2,8H2,1H3,(H2,7,9,11)
InChIKeyCRZQJCIJABSVPM-UHFFFAOYSA-N
XLogP0.80
TPSA69.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.80
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 4,6-diamino-1-ethylpyrimidine-2-thione?
The IUPAC name of 4,6-diamino-1-ethylpyrimidine-2-thione (CID 15200360) is 4,6-diamino-1-ethylpyrimidine-2-thione.
What is the SMILES notation for 4,6-diamino-1-ethylpyrimidine-2-thione?
The canonical SMILES for 4,6-diamino-1-ethylpyrimidine-2-thione is CCn1c(N)cc(N)nc1=S.
What is the InChIKey of 4,6-diamino-1-ethylpyrimidine-2-thione?
The InChIKey is CRZQJCIJABSVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-10-5(8)3-4(7)9-6(10)11/h3H,2,8H2,1H3,(H2,7,9,11).
What are the key properties of 4,6-diamino-1-ethylpyrimidine-2-thione?
4,6-diamino-1-ethylpyrimidine-2-thione has a molecular weight of 170.24 g/mol, XLogP of 0.80, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diamino-1-ethylpyrimidine-2-thione is sourced from PubChem (CID 15200360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).