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

C12H19N3OS — CID 106476777

IUPAC2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)c(C)c(C)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-4-15-5-6-16-10(7-15)11-13-9(3)8(2)12(17)14-11/h10H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyKIWZASLAEQAQHP-UHFFFAOYSA-N
MW253.37 g/mol
LogP2.15
Rot. Bonds2

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

2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione (PubChem CID 106476777) has the molecular formula C12H19N3OS and a molecular weight of 253.37 g/mol. Its IUPAC name is 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
PubChem CID106476777
Molecular FormulaC12H19N3OS
Molecular Weight253.37 g/mol
Exact Mass253.12
IUPAC Name2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione
SMILESCCN1CCOC(c2nc(=S)c(C)c(C)[nH]2)C1
InChIInChI=1S/C12H19N3OS/c1-4-15-5-6-16-10(7-15)11-13-9(3)8(2)12(17)14-11/h10H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyKIWZASLAEQAQHP-UHFFFAOYSA-N
XLogP2.15
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.37
LogP ≤ 52.15
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-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-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106475817
6-tert-butyl-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476010
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
6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476289

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione (CID 106476777) is 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione is CCN1CCOC(c2nc(=S)c(C)c(C)[nH]2)C1.
What is the InChIKey of 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
The InChIKey is KIWZASLAEQAQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3OS/c1-4-15-5-6-16-10(7-15)11-13-9(3)8(2)12(17)14-11/h10H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione?
2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione has a molecular weight of 253.37 g/mol, XLogP of 2.15, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylmorpholin-2-yl)-5,6-dimethyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).