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

C10H18N4S — CID 82457166

IUPAC6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCCCN(C)C)[nH]1
InChIInChI=1S/C10H18N4S/c1-8-12-9(7-10(15)13-8)11-5-4-6-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13,15)
InChIKeyUSBQCBZGRVXXRV-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.81
Rot. Bonds5

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

6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457166) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457166
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCCCN(C)C)[nH]1
InChIInChI=1S/C10H18N4S/c1-8-12-9(7-10(15)13-8)11-5-4-6-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13,15)
InChIKeyUSBQCBZGRVXXRV-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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Related Compounds

2-amino-6-(propylamino)-1H-pyrimidine-4-thione
CID 3720756
4-Amino-6-(ethylamino)-1-methylpyrimidine-2-thione
CID 11819733
6-(dimethylamino)-2-methyl-1H-pyrimidine-4-thione;ethane;prop-1-ene
CID 143033433
2-Amino-6-(butylamino)pyrimidine-4(1H)-thione
CID 3668605
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457103
2-methyl-6-(methylamino)-1H-pyrimidine-4-thione
CID 82457140
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(cyclopropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457143
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione (CID 82457166) is 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NCCCN(C)C)[nH]1.
What is the InChIKey of 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is USBQCBZGRVXXRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-8-12-9(7-10(15)13-8)11-5-4-6-14(2)3/h7H,4-6H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-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 6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).