6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione

C10H17N3OS — CID 82457296

IUPAC6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCCNc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C10H17N3OS/c1-7(2)10-12-8(6-9(15)13-10)11-4-5-14-3/h6-7H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyCLFRUVCXCPAALT-UHFFFAOYSA-N
MW227.33 g/mol
LogP2.32
Rot. Bonds5

About 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione

6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 82457296) has the molecular formula C10H17N3OS and a molecular weight of 227.33 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID82457296
Molecular FormulaC10H17N3OS
Molecular Weight227.33 g/mol
Exact Mass227.11
IUPAC Name6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
SMILESCOCCNc1cc(=S)nc(C(C)C)[nH]1
InChIInChI=1S/C10H17N3OS/c1-7(2)10-12-8(6-9(15)13-10)11-4-5-14-3/h6-7H,4-5H2,1-3H3,(H2,11,12,13,15)
InChIKeyCLFRUVCXCPAALT-UHFFFAOYSA-N
XLogP2.32
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.33
LogP ≤ 52.32
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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Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione (CID 82457296) is 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione is COCCNc1cc(=S)nc(C(C)C)[nH]1.
What is the InChIKey of 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is CLFRUVCXCPAALT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3OS/c1-7(2)10-12-8(6-9(15)13-10)11-4-5-14-3/h6-7H,4-5H2,1-3H3,(H2,11,12,13,15).
What are the key properties of 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione?
6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 227.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).