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

C12H19N3OS — CID 106475565

IUPAC6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(C)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-3-4-15-5-6-16-10(8-15)12-13-9(2)7-11(17)14-12/h7,10H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyOUCOVBRXDKCGOA-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.23
Rot. Bonds3

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

6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106475565) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106475565
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCCN1CCOC(c2nc(=S)cc(C)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-3-4-15-5-6-16-10(8-15)12-13-9(2)7-11(17)14-12/h7,10H,3-6,8H2,1-2H3,(H,13,14,17)
InChIKeyOUCOVBRXDKCGOA-UHFFFAOYSA-N
XLogP2.23
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.23
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-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106475565) is 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCCN1CCOC(c2nc(=S)cc(C)[nH]2)C1.
What is the InChIKey of 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is OUCOVBRXDKCGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-3-4-15-5-6-16-10(8-15)12-13-9(2)7-11(17)14-12/h7,10H,3-6,8H2,1-2H3,(H,13,14,17).
What are the key properties of 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 253.37 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).