5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione

C9H16N4S — CID 13293305

IUPAC5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1[nH]c(C)nc(=S)c1N
InChIInChI=1S/C9H16N4S/c1-4-13(5-2)8-7(10)9(14)12-6(3)11-8/h4-5,10H2,1-3H3,(H,11,12,14)
InChIKeyHOLCZUOSGHLOGP-UHFFFAOYSA-N
MW212.32 g/mol
LogP1.88
Rot. Bonds3

About 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione

5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione (PubChem CID 13293305) has the molecular formula C9H16N4S and a molecular weight of 212.32 g/mol. Its IUPAC name is 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione
PubChem CID13293305
Molecular FormulaC9H16N4S
Molecular Weight212.32 g/mol
Exact Mass212.11
IUPAC Name5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)c1[nH]c(C)nc(=S)c1N
InChIInChI=1S/C9H16N4S/c1-4-13(5-2)8-7(10)9(14)12-6(3)11-8/h4-5,10H2,1-3H3,(H,11,12,14)
InChIKeyHOLCZUOSGHLOGP-UHFFFAOYSA-N
XLogP1.88
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.32
LogP ≤ 51.88
H-Bond Donors ≤ 52
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 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione (CID 13293305) is 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione is CCN(CC)c1[nH]c(C)nc(=S)c1N.
What is the InChIKey of 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is HOLCZUOSGHLOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4S/c1-4-13(5-2)8-7(10)9(14)12-6(3)11-8/h4-5,10H2,1-3H3,(H,11,12,14).
What are the key properties of 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione?
5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 212.32 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(diethylamino)-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 13293305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).