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

C11H15N3OS — CID 82457599

IUPAC2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
SMILESC=CCNc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C11H15N3OS/c1-2-5-12-9-7-10(16)14-11(13-9)8-4-3-6-15-8/h2,7-8H,1,3-6H2,(H2,12,13,14,16)
InChIKeySHYZCPJOHQYKHH-UHFFFAOYSA-N
MW237.33 g/mol
LogP2.59
Rot. Bonds4

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

2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione (PubChem CID 82457599) has the molecular formula C11H15N3OS and a molecular weight of 237.33 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
PubChem CID82457599
Molecular FormulaC11H15N3OS
Molecular Weight237.33 g/mol
Exact Mass237.09
IUPAC Name2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione
SMILESC=CCNc1cc(=S)nc(C2CCCO2)[nH]1
InChIInChI=1S/C11H15N3OS/c1-2-5-12-9-7-10(16)14-11(13-9)8-4-3-6-15-8/h2,7-8H,1,3-6H2,(H2,12,13,14,16)
InChIKeySHYZCPJOHQYKHH-UHFFFAOYSA-N
XLogP2.59
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.33
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457111
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

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione (CID 82457599) is 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione is C=CCNc1cc(=S)nc(C2CCCO2)[nH]1.
What is the InChIKey of 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
The InChIKey is SHYZCPJOHQYKHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3OS/c1-2-5-12-9-7-10(16)14-11(13-9)8-4-3-6-15-8/h2,7-8H,1,3-6H2,(H2,12,13,14,16).
What are the key properties of 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione?
2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione has a molecular weight of 237.33 g/mol, XLogP of 2.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-6-(prop-2-enylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).