6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione

C10H15N3O2S — CID 106477654

IUPAC6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C10H15N3O2S/c1-14-7-8-6-9(16)12-10(11-8)13-2-4-15-5-3-13/h6H,2-5,7H2,1H3,(H,11,12,16)
InChIKeyFMUCKEBEYSDIDE-UHFFFAOYSA-N
MW241.32 g/mol
LogP1.12
Rot. Bonds3

About 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106477654) has the molecular formula C10H15N3O2S and a molecular weight of 241.32 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
PubChem CID106477654
Molecular FormulaC10H15N3O2S
Molecular Weight241.32 g/mol
Exact Mass241.09
IUPAC Name6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C10H15N3O2S/c1-14-7-8-6-9(16)12-10(11-8)13-2-4-15-5-3-13/h6H,2-5,7H2,1H3,(H,11,12,16)
InChIKeyFMUCKEBEYSDIDE-UHFFFAOYSA-N
XLogP1.12
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.32
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 17606458
6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476133
6-(methoxymethyl)-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106477586
6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106477587
2-(dimethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477608
6-(methoxymethyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106477609
2-(diethylamino)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106477724
5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106480579

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione (CID 106477654) is 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione is COCc1cc(=S)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is FMUCKEBEYSDIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S/c1-14-7-8-6-9(16)12-10(11-8)13-2-4-15-5-3-13/h6H,2-5,7H2,1H3,(H,11,12,16).
What are the key properties of 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 241.32 g/mol, XLogP of 1.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).