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

C13H21N3S2 — CID 106481291

IUPAC6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(C2CSCCN2C)[nH]1
InChIInChI=1S/C13H21N3S2/c1-9(2)6-10-7-12(17)15-13(14-10)11-8-18-5-4-16(11)3/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,17)
InChIKeyOUBMYGLLUASEDW-UHFFFAOYSA-N
MW283.47 g/mol
LogP3.06
Rot. Bonds3

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

6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106481291) has the molecular formula C13H21N3S2 and a molecular weight of 283.47 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
PubChem CID106481291
Molecular FormulaC13H21N3S2
Molecular Weight283.47 g/mol
Exact Mass283.12
IUPAC Name6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(C2CSCCN2C)[nH]1
InChIInChI=1S/C13H21N3S2/c1-9(2)6-10-7-12(17)15-13(14-10)11-8-18-5-4-16(11)3/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,17)
InChIKeyOUBMYGLLUASEDW-UHFFFAOYSA-N
XLogP3.06
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.47
LogP ≤ 53.06
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

N'-[7-methyl-4-[2-(methylamino)ethyl]-2,3,6,7-tetrahydro-1,4-benzothiazin-6-yl]-2,3-dihydrothiophene-2-carboximidamide
CID 89107636
2-(3-methyl-1,4-dithian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475059
2-(5,6-dimethyl-1,4-dithian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475183
2-(1,4-dithian-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475290
2-(3-methyl-1,4-dithian-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475316
2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475466
2-(1,4-dithian-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475540
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-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

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (CID 106481291) is 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(C2CSCCN2C)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is OUBMYGLLUASEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S2/c1-9(2)6-10-7-12(17)15-13(14-10)11-8-18-5-4-16(11)3/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,17).
What are the key properties of 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 283.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).