6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

C10H15N3S2 — CID 106475577

IUPAC6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CSCCN2C)[nH]1
InChIInChI=1S/C10H15N3S2/c1-7-5-9(14)12-10(11-7)8-6-15-4-3-13(8)2/h5,8H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyOPWLQRAMLBKMKJ-UHFFFAOYSA-N
MW241.38 g/mol
LogP2.17
Rot. Bonds1

About 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106475577) has the molecular formula C10H15N3S2 and a molecular weight of 241.38 g/mol. Its IUPAC name is 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
PubChem CID106475577
Molecular FormulaC10H15N3S2
Molecular Weight241.38 g/mol
Exact Mass241.07
IUPAC Name6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCc1cc(=S)nc(C2CSCCN2C)[nH]1
InChIInChI=1S/C10H15N3S2/c1-7-5-9(14)12-10(11-7)8-6-15-4-3-13(8)2/h5,8H,3-4,6H2,1-2H3,(H,11,12,14)
InChIKeyOPWLQRAMLBKMKJ-UHFFFAOYSA-N
XLogP2.17
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.38
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106475567
2-(1,4-dimethylpiperazin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475646
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475692
2-(1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475790
6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476078
2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-6-thione
CID 106476326
5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476601
5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106478998
6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106481291
2-(4-methylthiomorpholin-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481555
2-(4-methylthiomorpholin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 113838900
2-(4-methylthiomorpholin-3-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 113838935

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (CID 106475577) is 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is Cc1cc(=S)nc(C2CSCCN2C)[nH]1.
What is the InChIKey of 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is OPWLQRAMLBKMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S2/c1-7-5-9(14)12-10(11-7)8-6-15-4-3-13(8)2/h5,8H,3-4,6H2,1-2H3,(H,11,12,14).
What are the key properties of 6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 241.38 g/mol, XLogP of 2.17, 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-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).