6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione

C13H21N3O2S — CID 106477819

IUPAC6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C13H21N3O2S/c1-9(2)16-4-5-18-11(7-16)13-14-10(8-17-3)6-12(19)15-13/h6,9,11H,4-5,7-8H2,1-3H3,(H,14,15,19)
InChIKeyVTWVEBWZAJUIAB-UHFFFAOYSA-N
MW283.40 g/mol
LogP2.07
Rot. Bonds4

About 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione

6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106477819) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106477819
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC Name6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCOCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C13H21N3O2S/c1-9(2)16-4-5-18-11(7-16)13-14-10(8-17-3)6-12(19)15-13/h6,9,11H,4-5,7-8H2,1-3H3,(H,14,15,19)
InChIKeyVTWVEBWZAJUIAB-UHFFFAOYSA-N
XLogP2.07
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-propyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475057
2-(4-ethylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475251
2-(4-propan-2-ylmorpholin-2-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475291
6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475314
2-(4-methylmorpholin-2-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475457
6-propan-2-yl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475541
6-methyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475565
6-methyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475710
2-(4-ethylmorpholin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106475754
6-tert-butyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476046
6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476067
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209

Frequently Asked Questions

What is the IUPAC name of 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106477819) is 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is COCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1.
What is the InChIKey of 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is VTWVEBWZAJUIAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-9(2)16-4-5-18-11(7-16)13-14-10(8-17-3)6-12(19)15-13/h6,9,11H,4-5,7-8H2,1-3H3,(H,14,15,19).
What are the key properties of 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 283.40 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methoxymethyl)-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106477819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).