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

C7H11N3OS — CID 82457110

IUPAC6-(2-methoxyethylamino)-1H-pyrimidine-4-thione
SMILESCOCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C7H11N3OS/c1-11-3-2-8-6-4-7(12)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyWWECBKMKLBMFMO-UHFFFAOYSA-N
MW185.25 g/mol
LogP1.20
Rot. Bonds4

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

6-(2-methoxyethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457110) has the molecular formula C7H11N3OS and a molecular weight of 185.25 g/mol. Its IUPAC name is 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methoxyethylamino)-1H-pyrimidine-4-thione
PubChem CID82457110
Molecular FormulaC7H11N3OS
Molecular Weight185.25 g/mol
Exact Mass185.06
IUPAC Name6-(2-methoxyethylamino)-1H-pyrimidine-4-thione
SMILESCOCCNc1cc(=S)nc[nH]1
InChIInChI=1S/C7H11N3OS/c1-11-3-2-8-6-4-7(12)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,12)
InChIKeyWWECBKMKLBMFMO-UHFFFAOYSA-N
XLogP1.20
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.25
LogP ≤ 51.20
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

6-(2-methoxyethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457296
2,5-dichloro-N-(2-methoxyethyl)aniline
CID 28568177
4-N-(2-methoxyethyl)-6-N-propylpyrimidine-4,6-diamine
CID 80765107
N-(2-methoxyethyl)-5-pyridin-2-yl-1H-pyrazol-3-amine
CID 63049884
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
5-chloro-2-N-(2-methoxyethyl)pyridine-2,3-diamine
CID 79021487
N-(2-methoxyethyl)-5-thiophen-2-yl-1H-pyrazol-3-amine
CID 63049730
5-(4-bromo-2-chlorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 82781603
4,6-diiodo-N-(2-methoxyethyl)pyrimidin-2-amine
CID 87732677
5-(2-bromophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 63047643
5-(2-fluorophenyl)-N-(2-methoxyethyl)-1H-pyrazol-3-amine
CID 55146147
N-(2-methoxyethyl)-1-propan-2-ylimidazol-2-amine
CID 106554838

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione (CID 82457110) is 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione is COCCNc1cc(=S)nc[nH]1.
What is the InChIKey of 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione?
The InChIKey is WWECBKMKLBMFMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3OS/c1-11-3-2-8-6-4-7(12)10-5-9-6/h4-5H,2-3H2,1H3,(H2,8,9,10,12).
What are the key properties of 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione?
6-(2-methoxyethylamino)-1H-pyrimidine-4-thione has a molecular weight of 185.25 g/mol, XLogP of 1.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).