2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione

C10H17N3OS — CID 82457220

IUPAC2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC(CC)CO)[nH]1
InChIInChI=1S/C10H17N3OS/c1-3-7(6-14)11-9-5-10(15)13-8(4-2)12-9/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyHLBHXLFLIBBAQP-UHFFFAOYSA-N
MW227.33 g/mol
LogP1.88
Rot. Bonds5

About 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione

2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione (PubChem CID 82457220) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione
PubChem CID82457220
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione
SMILESCCc1nc(=S)cc(NC(CC)CO)[nH]1
InChIInChI=1S/C10H17N3OS/c1-3-7(6-14)11-9-5-10(15)13-8(4-2)12-9/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15)
InChIKeyHLBHXLFLIBBAQP-UHFFFAOYSA-N
XLogP1.88
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione (CID 82457220) is 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione is CCc1nc(=S)cc(NC(CC)CO)[nH]1.
What is the InChIKey of 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione?
The InChIKey is HLBHXLFLIBBAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-3-7(6-14)11-9-5-10(15)13-8(4-2)12-9/h5,7,14H,3-4,6H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione?
2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione has a molecular weight of 227.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-hydroxybutan-2-ylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).