2-(diethylamino)-1H-pyrimidine-6-thione

C8H13N3S — CID 106476465

IUPAC2-(diethylamino)-1H-pyrimidine-6-thione
SMILESCCN(CC)c1nccc(=S)[nH]1
InChIInChI=1S/C8H13N3S/c1-3-11(4-2)8-9-6-5-7(12)10-8/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyQUHAHZNAXHHVJL-UHFFFAOYSA-N
MW183.28 g/mol
LogP1.99
Rot. Bonds3

About 2-(diethylamino)-1H-pyrimidine-6-thione

2-(diethylamino)-1H-pyrimidine-6-thione (PubChem CID 106476465) has the molecular formula C8H13N3S and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-(diethylamino)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name2-(diethylamino)-1H-pyrimidine-6-thione
PubChem CID106476465
Molecular FormulaC8H13N3S
Molecular Weight183.28 g/mol
Exact Mass183.08
IUPAC Name2-(diethylamino)-1H-pyrimidine-6-thione
SMILESCCN(CC)c1nccc(=S)[nH]1
InChIInChI=1S/C8H13N3S/c1-3-11(4-2)8-9-6-5-7(12)10-8/h5-6H,3-4H2,1-2H3,(H,9,10,12)
InChIKeyQUHAHZNAXHHVJL-UHFFFAOYSA-N
XLogP1.99
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Aminopyrimidine-4(1H)-thione
CID 4377786
2-(Dimethylamino)-3-methyl-4(3H)-pyrimidinethione
CID 45118483
2-Amino-3-methyl-4(3H)-pyrimidinethione
CID 55281180
2-(Dimethylamino)-4(3H)-pyrimidinethione
CID 64829651
2-(3-fluoropyrrolidin-1-yl)-1H-pyrimidine-6-thione
CID 123313445
6-[bis(prop-2-enyl)amino]-1H-1,3,5-triazine-2,4-dithione;ethene-1,1,2-triamine
CID 19805204
2-(dimethylamino)-4-sulfanyl-1H-pyrimidine-6-thione
CID 53637536
2-piperidin-1-yl-1H-pyrimidine-6-thione
CID 106476332
2-(methylamino)-1H-pyrimidine-6-thione
CID 141165945
Ethane;1-methyl-2-methylidenepyrimidine-4-thione
CID 144110949
2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106475698
2-(4-methylpiperazin-1-yl)-1H-pyrimidine-6-thione
CID 106476301

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-1H-pyrimidine-6-thione?
The IUPAC name of 2-(diethylamino)-1H-pyrimidine-6-thione (CID 106476465) is 2-(diethylamino)-1H-pyrimidine-6-thione.
What is the SMILES notation for 2-(diethylamino)-1H-pyrimidine-6-thione?
The canonical SMILES for 2-(diethylamino)-1H-pyrimidine-6-thione is CCN(CC)c1nccc(=S)[nH]1.
What is the InChIKey of 2-(diethylamino)-1H-pyrimidine-6-thione?
The InChIKey is QUHAHZNAXHHVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3S/c1-3-11(4-2)8-9-6-5-7(12)10-8/h5-6H,3-4H2,1-2H3,(H,9,10,12).
What are the key properties of 2-(diethylamino)-1H-pyrimidine-6-thione?
2-(diethylamino)-1H-pyrimidine-6-thione has a molecular weight of 183.28 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106476465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).