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

C6H9N3S — CID 82457077

IUPAC6-(ethylamino)-1H-pyrimidine-4-thione
SMILESCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C6H9N3S/c1-2-7-5-3-6(10)9-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyVYFXIWIAQDJJPL-UHFFFAOYSA-N
MW155.23 g/mol
LogP1.57
Rot. Bonds2

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

6-(ethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457077) has the molecular formula C6H9N3S and a molecular weight of 155.23 g/mol. Its IUPAC name is 6-(ethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(ethylamino)-1H-pyrimidine-4-thione
PubChem CID82457077
Molecular FormulaC6H9N3S
Molecular Weight155.23 g/mol
Exact Mass155.05
IUPAC Name6-(ethylamino)-1H-pyrimidine-4-thione
SMILESCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C6H9N3S/c1-2-7-5-3-6(10)9-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9,10)
InChIKeyVYFXIWIAQDJJPL-UHFFFAOYSA-N
XLogP1.57
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.23
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
4-Amino-6-mercaptopyrimidine
CID 3813846
4-Pyrimidinethiol, 6-(methylamino)-
CID 23423875
3-Methyl-6-(methylamino)-4(3H)-pyrimidinethione
CID 45118445
6-(Dimethylamino)-4(3H)-pyrimidinethione
CID 119088143
2-Amino-6-(methylamino)pyrimidine-4(1H)-thione
CID 5195005
2-amino-6-(ethylamino)-1H-pyrimidine-4-thione
CID 4162666
N-ethyl-1,4-dihydropyrimidin-6-amine
CID 118973305
2-(methylamino)-1H-pyrimidine-6-thione
CID 141165945
N-methyl-1,4-dihydropyrimidin-6-amine
CID 146638483
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-methyl-2-(methylamino)-1H-pyrimidine-4-thione
CID 17606465

Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(ethylamino)-1H-pyrimidine-4-thione (CID 82457077) is 6-(ethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(ethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(ethylamino)-1H-pyrimidine-4-thione is CCNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(ethylamino)-1H-pyrimidine-4-thione?
The InChIKey is VYFXIWIAQDJJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3S/c1-2-7-5-3-6(10)9-4-8-5/h3-4H,2H2,1H3,(H2,7,8,9,10).
What are the key properties of 6-(ethylamino)-1H-pyrimidine-4-thione?
6-(ethylamino)-1H-pyrimidine-4-thione has a molecular weight of 155.23 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).