5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

C11H17N3S2 — CID 106476601

IUPAC5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CSCCN2C)nc(=S)c1C
InChIInChI=1S/C11H17N3S2/c1-7-8(2)12-10(13-11(7)15)9-6-16-5-4-14(9)3/h9H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyVLWDRTNUJIQCHQ-UHFFFAOYSA-N
MW255.41 g/mol
LogP2.48
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106476601) has the molecular formula C11H17N3S2 and a molecular weight of 255.41 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
PubChem CID106476601
Molecular FormulaC11H17N3S2
Molecular Weight255.41 g/mol
Exact Mass255.09
IUPAC Name5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CSCCN2C)nc(=S)c1C
InChIInChI=1S/C11H17N3S2/c1-7-8(2)12-10(13-11(7)15)9-6-16-5-4-14(9)3/h9H,4-6H2,1-3H3,(H,12,13,15)
InChIKeyVLWDRTNUJIQCHQ-UHFFFAOYSA-N
XLogP2.48
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 52.48
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-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106475577
6-ethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476078
5,6-dimethyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106476592
2-(1,4-dimethylpiperazin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476669
2-[(1,4-dimethylpiperazin-2-yl)methyl]-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476741
2-(1,4-dithian-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
CID 106476812
5-ethyl-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476843
6-methyl-2-(4-methylthiomorpholin-3-yl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477855
6-ethyl-5-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106478106
5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106478998
5-bromo-6-tert-butyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106479523
2-(4-methylthiomorpholin-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481555

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (CID 106476601) is 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CSCCN2C)nc(=S)c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is VLWDRTNUJIQCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3S2/c1-7-8(2)12-10(13-11(7)15)9-6-16-5-4-14(9)3/h9H,4-6H2,1-3H3,(H,12,13,15).
What are the key properties of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 255.41 g/mol, XLogP of 2.48, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).