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

C13H21N3OS — CID 106476289

IUPAC6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C13H21N3OS/c1-4-10-7-12(18)15-13(14-10)11-8-16(9(2)3)5-6-17-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyAJCKUKOQWZZOND-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.48
Rot. Bonds3

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

6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (PubChem CID 106476289) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
PubChem CID106476289
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC Name6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione
SMILESCCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1
InChIInChI=1S/C13H21N3OS/c1-4-10-7-12(18)15-13(14-10)11-8-16(9(2)3)5-6-17-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,18)
InChIKeyAJCKUKOQWZZOND-UHFFFAOYSA-N
XLogP2.48
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
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-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209
6-ethyl-2-(1,4-oxathian-2-yl)-1H-pyrimidine-4-thione
CID 106476255
2-[5-(chloromethyl)-1H-imidazol-2-yl]-4-propan-2-ylmorpholine
CID 79664752
4-propan-2-yl-2-(1H-1,2,4-triazol-5-yl)morpholine
CID 170366672
4-ethyl-6-(4-propan-2-ylmorpholin-2-yl)-1,3,5-triazin-2-amine
CID 79662449
[6-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-yl]methanamine
CID 79663846
4-propan-2-yl-2-pyridin-4-ylmorpholine
CID 176665996
N-ethyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-4-amine
CID 79663349
2-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 79657822
[3-(4-propan-2-ylmorpholin-2-yl)-1H-1,2,4-triazol-5-yl]methanol
CID 79662691
2-(4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)-4-propan-2-ylmorpholine
CID 114742471
(1S)-1-[4-methyl-2-(4-propan-2-ylmorpholin-2-yl)pyrimidin-5-yl]ethanamine
CID 103431910

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione (CID 106476289) is 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is CCc1cc(=S)nc(C2CN(C(C)C)CCO2)[nH]1.
What is the InChIKey of 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
The InChIKey is AJCKUKOQWZZOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-4-10-7-12(18)15-13(14-10)11-8-16(9(2)3)5-6-17-11/h7,9,11H,4-6,8H2,1-3H3,(H,14,15,18).
What are the key properties of 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione?
6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione has a molecular weight of 267.40 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-(4-propan-2-ylmorpholin-2-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106476289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).