2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione

C11H19N3S — CID 82457245

IUPAC2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCC(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-9-13-10(7-11(15)14-9)12-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyRYSPMAPFAFUXIK-UHFFFAOYSA-N
MW225.36 g/mol
LogP3.16
Rot. Bonds5

About 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione

2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione (PubChem CID 82457245) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
PubChem CID82457245
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NCCC(C)C)[nH]1
InChIInChI=1S/C11H19N3S/c1-4-9-13-10(7-11(15)14-9)12-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyRYSPMAPFAFUXIK-UHFFFAOYSA-N
XLogP3.16
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-butyl-2-(2-methylpropyl)-1,4-dihydropyrimidin-6-amine
CID 134549537
6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457112
6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457121
6-(ethylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457141
6-(hexylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457144
6-(butylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457151
6-[4-(diethylamino)butylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457160
6-[3-(dimethylamino)propylamino]-2-methyl-1H-pyrimidine-4-thione
CID 82457166
6-(butan-2-ylamino)-2-methyl-1H-pyrimidine-4-thione
CID 82457171
2-methyl-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457172
2-methyl-6-(2-methylpropylamino)-1H-pyrimidine-4-thione
CID 82457175
2-methyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione
CID 82457184

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione (CID 82457245) is 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NCCC(C)C)[nH]1.
What is the InChIKey of 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione?
The InChIKey is RYSPMAPFAFUXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-4-9-13-10(7-11(15)14-9)12-6-5-8(2)3/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione has a molecular weight of 225.36 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(3-methylbutylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).