6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione

C10H15N3OS — CID 106475710

IUPAC6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CN(C)CCO2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7-5-9(15)12-10(11-7)8-6-13(2)3-4-14-8/h5,8H,3-4,6H2,1-2H3,(H,11,12,15)
InChIKeyWGOFAIMFKSRGOT-UHFFFAOYSA-N
MW225.32 g/mol
LogP1.45
Rot. Bonds1

About 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione

6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475710) has the molecular formula C10H15N3OS and a molecular weight of 225.32 g/mol. Its IUPAC name is 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475710
Molecular FormulaC10H15N3OS
Molecular Weight225.32 g/mol
Exact Mass225.09
IUPAC Name6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CN(C)CCO2)[nH]1
InChIInChI=1S/C10H15N3OS/c1-7-5-9(15)12-10(11-7)8-6-13(2)3-4-14-8/h5,8H,3-4,6H2,1-2H3,(H,11,12,15)
InChIKeyWGOFAIMFKSRGOT-UHFFFAOYSA-N
XLogP1.45
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.32
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106475710) is 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CN(C)CCO2)[nH]1.
What is the InChIKey of 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is WGOFAIMFKSRGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3OS/c1-7-5-9(15)12-10(11-7)8-6-13(2)3-4-14-8/h5,8H,3-4,6H2,1-2H3,(H,11,12,15).
What are the key properties of 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 225.32 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).