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

C11H17N3O2S — CID 82457463

IUPAC2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NCC2CCCO2)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-15-7-10-13-9(5-11(17)14-10)12-6-8-3-2-4-16-8/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14,17)
InChIKeyGGTXBDHQFDKFMC-UHFFFAOYSA-N
MW255.34 g/mol
LogP1.88
Rot. Bonds5

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

2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione (PubChem CID 82457463) has the molecular formula C11H17N3O2S and a molecular weight of 255.34 g/mol. Its IUPAC name is 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
PubChem CID82457463
Molecular FormulaC11H17N3O2S
Molecular Weight255.34 g/mol
Exact Mass255.10
IUPAC Name2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione
SMILESCOCc1nc(=S)cc(NCC2CCCO2)[nH]1
InChIInChI=1S/C11H17N3O2S/c1-15-7-10-13-9(5-11(17)14-10)12-6-8-3-2-4-16-8/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14,17)
InChIKeyGGTXBDHQFDKFMC-UHFFFAOYSA-N
XLogP1.88
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.34
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-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-(3-propan-2-yloxypropylamino)-1H-pyrimidine-4-thione
CID 82457445
6-(5-hydroxypentylamino)-2-(methoxymethyl)-1H-pyrimidine-4-thione
CID 82457459
2-(methoxymethyl)-6-(pentylamino)-1H-pyrimidine-4-thione
CID 82457461
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

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The IUPAC name of 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione (CID 82457463) is 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione is COCc1nc(=S)cc(NCC2CCCO2)[nH]1.
What is the InChIKey of 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
The InChIKey is GGTXBDHQFDKFMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2S/c1-15-7-10-13-9(5-11(17)14-10)12-6-8-3-2-4-16-8/h5,8H,2-4,6-7H2,1H3,(H2,12,13,14,17).
What are the key properties of 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione?
2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione has a molecular weight of 255.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-6-(oxolan-2-ylmethylamino)-1H-pyrimidine-4-thione is sourced from PubChem (CID 82457463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).