4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione

C10H18N4S — CID 53491188

IUPAC4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione
SMILESCc1cc(NCCCN(C)C)nc(=S)[nH]1
InChIInChI=1S/C10H18N4S/c1-8-7-9(13-10(15)12-8)11-5-4-6-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13,15)
InChIKeyVRCZRXMBLHEVSE-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.81
Rot. Bonds5

About 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione

4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione (PubChem CID 53491188) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione.

Molecular Properties

Compound Name4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione
PubChem CID53491188
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione
SMILESCc1cc(NCCCN(C)C)nc(=S)[nH]1
InChIInChI=1S/C10H18N4S/c1-8-7-9(13-10(15)12-8)11-5-4-6-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13,15)
InChIKeyVRCZRXMBLHEVSE-UHFFFAOYSA-N
XLogP1.81
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione?
The IUPAC name of 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione (CID 53491188) is 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione.
What is the SMILES notation for 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione?
The canonical SMILES for 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione is Cc1cc(NCCCN(C)C)nc(=S)[nH]1.
What is the InChIKey of 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione?
The InChIKey is VRCZRXMBLHEVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-7-9(13-10(15)12-8)11-5-4-6-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione?
4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione has a molecular weight of 226.35 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(dimethylamino)propylamino]-6-methyl-1H-pyrimidine-2-thione is sourced from PubChem (CID 53491188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).