6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione

C8H11N3OS — CID 82457628

IUPAC6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESNc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C8H11N3OS/c9-6-4-7(13)11-8(10-6)5-2-1-3-12-5/h4-5H,1-3H2,(H3,9,10,11,13)
InChIKeyNFEPORSCXIVORU-UHFFFAOYSA-N
MW197.26 g/mol
LogP1.57
Rot. Bonds1

About 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione

6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (PubChem CID 82457628) has the molecular formula C8H11N3OS and a molecular weight of 197.26 g/mol. Its IUPAC name is 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
PubChem CID82457628
Molecular FormulaC8H11N3OS
Molecular Weight197.26 g/mol
Exact Mass197.06
IUPAC Name6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
SMILESNc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C8H11N3OS/c9-6-4-7(13)11-8(10-6)5-2-1-3-12-5/h4-5H,1-3H2,(H3,9,10,11,13)
InChIKeyNFEPORSCXIVORU-UHFFFAOYSA-N
XLogP1.57
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.26
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457174
2-ethyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457236
6-(oxolan-2-ylmethylamino)-2-propan-2-yl-1H-pyrimidine-4-thione
CID 82457297
6-(oxolan-2-ylmethylamino)-2-propyl-1H-pyrimidine-4-thione
CID 82457354
2-tert-butyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457408
2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457463
2-cyclopropyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457521
6-(methylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457583
6-(ethylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457584
2-(oxolan-2-yl)-6-(propan-2-ylamino)-1H-pyrimidine-4-thione
CID 82457585
6-(cyclopropylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457586
6-(hexylamino)-2-(oxolan-2-yl)-1H-pyrimidine-4-thione
CID 82457587

Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione (CID 82457628) is 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is Nc1cc(=S)nc(C2CCCO2)[nH]1.
What is the InChIKey of 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is NFEPORSCXIVORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3OS/c9-6-4-7(13)11-8(10-6)5-2-1-3-12-5/h4-5H,1-3H2,(H3,9,10,11,13).
What are the key properties of 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione?
6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 197.26 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(oxolan-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).