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

C13H24N4S — CID 82457160

IUPAC6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCCCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C13H24N4S/c1-4-17(5-2)9-7-6-8-14-12-10-13(18)16-11(3)15-12/h10H,4-9H2,1-3H3,(H2,14,15,16,18)
InChIKeyFRYBMKBQPJDWSZ-UHFFFAOYSA-N
MW268.43 g/mol
LogP2.98
Rot. Bonds8

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

6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione (PubChem CID 82457160) has the molecular formula C13H24N4S and a molecular weight of 268.43 g/mol. Its IUPAC name is 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
PubChem CID82457160
Molecular FormulaC13H24N4S
Molecular Weight268.43 g/mol
Exact Mass268.17
IUPAC Name6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
SMILESCCN(CC)CCCCNc1cc(=S)nc(C)[nH]1
InChIInChI=1S/C13H24N4S/c1-4-17(5-2)9-7-6-8-14-12-10-13(18)16-11(3)15-12/h10H,4-9H2,1-3H3,(H2,14,15,16,18)
InChIKeyFRYBMKBQPJDWSZ-UHFFFAOYSA-N
XLogP2.98
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 52.98
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
5-amino-6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085361
5-amino-6-(dibutylamino)-2-methyl-1H-pyrimidine-4-thione
CID 20085382
2-[3-(diethylamino)propyl]-1H-pyrimidine-2,4,6-triamine
CID 69053668
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-(butylamino)-1H-pyrimidine-4-thione
CID 82457087
6-[4-(diethylamino)butylamino]-1H-pyrimidine-4-thione
CID 82457096
6-(4-pyrrolidin-1-ylbutylamino)-1H-pyrimidine-4-thione
CID 82457097
6-[3-(dimethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457102
6-[3-(diethylamino)propylamino]-1H-pyrimidine-4-thione
CID 82457103

Frequently Asked Questions

What is the IUPAC name of 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione?
The IUPAC name of 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione (CID 82457160) is 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione is CCN(CC)CCCCNc1cc(=S)nc(C)[nH]1.
What is the InChIKey of 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione?
The InChIKey is FRYBMKBQPJDWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4S/c1-4-17(5-2)9-7-6-8-14-12-10-13(18)16-11(3)15-12/h10H,4-9H2,1-3H3,(H2,14,15,16,18).
What are the key properties of 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione?
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione has a molecular weight of 268.43 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).