2-amino-6-(ethylamino)-1H-pyrimidine-4-thione

C6H10N4S — CID 4162666

IUPAC2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
SMILESCCNc1cc(=S)nc(N)[nH]1
InChIInChI=1S/C6H10N4S/c1-2-8-4-3-5(11)10-6(7)9-4/h3H,2H2,1H3,(H4,7,8,9,10,11)
InChIKeyNYRXYAFNYDSYQK-UHFFFAOYSA-N
MW170.24 g/mol
LogP1.15
Rot. Bonds2

About 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione

2-amino-6-(ethylamino)-1H-pyrimidine-4-thione (PubChem CID 4162666) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
PubChem CID4162666
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
SMILESCCNc1cc(=S)nc(N)[nH]1
InChIInChI=1S/C6H10N4S/c1-2-8-4-3-5(11)10-6(7)9-4/h3H,2H2,1H3,(H4,7,8,9,10,11)
InChIKeyNYRXYAFNYDSYQK-UHFFFAOYSA-N
XLogP1.15
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 51.15
H-Bond Donors ≤ 53
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 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione (CID 4162666) is 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione is CCNc1cc(=S)nc(N)[nH]1.
What is the InChIKey of 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione?
The InChIKey is NYRXYAFNYDSYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-2-8-4-3-5(11)10-6(7)9-4/h3H,2H2,1H3,(H4,7,8,9,10,11).
What are the key properties of 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione?
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione has a molecular weight of 170.24 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(ethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 4162666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).