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

C10H15N3OS — CID 82457174

IUPAC2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCC2CCCO2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7-12-9(5-10(15)13-7)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,15)
InChIKeyJZQZDRXZNYBVFI-UHFFFAOYSA-N
MW225.32 g/mol
LogP2.04
Rot. Bonds3

About 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione

2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457174) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
PubChem CID82457174
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCc1nc(=S)cc(NCC2CCCO2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7-12-9(5-10(15)13-7)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,15)
InChIKeyJZQZDRXZNYBVFI-UHFFFAOYSA-N
XLogP2.04
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 52.04
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

6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457111
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
2-cyclohexyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
CID 82457570
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-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione (CID 82457174) is 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione is Cc1nc(=S)cc(NCC2CCCO2)[nH]1.
What is the InChIKey of 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The InChIKey is JZQZDRXZNYBVFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-12-9(5-10(15)13-7)11-6-8-3-2-4-14-8/h5,8H,2-4,6H2,1H3,(H2,11,12,13,15).
What are the key properties of 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione has a molecular weight of 225.32 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).