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

C12H22N4S — CID 82457167

IUPAC6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C12H22N4S/c1-4-16(5-2)8-6-7-13-11-9-12(17)15-10(3)14-11/h9H,4-8H2,1-3H3,(H2,13,14,15,17)
InChIKeySQZCFLGUYFQSEB-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.59
Rot. Bonds7

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

6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457167) has the molecular formula C12H22N4S and a molecular weight of 254.40 g/mol. Its IUPAC name is 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457167
Molecular FormulaC12H22N4S
Molecular Weight254.40 g/mol
Exact Mass254.16
IUPAC Name6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C12H22N4S/c1-4-16(5-2)8-6-7-13-11-9-12(17)15-10(3)14-11/h9H,4-8H2,1-3H3,(H2,13,14,15,17)
InChIKeySQZCFLGUYFQSEB-UHFFFAOYSA-N
XLogP2.59
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.59
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

5-amino-6-(dipropylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085325
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-[2-(diethylamino)ethylamino]-1H-pyrimidine-4-thione
CID 82457083
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
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
2-methyl-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457142
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-[2-(diethylamino)ethylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457147
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151

Frequently Asked Questions

What is the IUPAC name of 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione (CID 82457167) is 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione is CCN(CC)CCCNc1cc(=S)nc(C)[nH]1.
What is the InChIKey of 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is SQZCFLGUYFQSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4S/c1-4-16(5-2)8-6-7-13-11-9-12(17)15-10(3)14-11/h9H,4-8H2,1-3H3,(H2,13,14,15,17).
What are the key properties of 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione?
6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 254.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(diethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).