1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea

C11H17N5OS — CID 134149319

IUPAC1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea
SMILESCCNC(=S)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C11H17N5OS/c1-2-12-11(18)15-9-7-10(14-8-13-9)16-3-5-17-6-4-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15,18)
InChIKeySPEGKWSWXLZYMX-UHFFFAOYSA-N
MW267.36 g/mol
LogP0.62
Rot. Bonds3

About 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea

1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea (PubChem CID 134149319) has the molecular formula C11H17N5OS and a molecular weight of 267.36 g/mol. Its IUPAC name is 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea.

Molecular Properties

Compound Name1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea
PubChem CID134149319
Molecular FormulaC11H17N5OS
Molecular Weight267.36 g/mol
Exact Mass267.12
IUPAC Name1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea
SMILESCCNC(=S)Nc1cc(N2CCOCC2)ncn1
InChIInChI=1S/C11H17N5OS/c1-2-12-11(18)15-9-7-10(14-8-13-9)16-3-5-17-6-4-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15,18)
InChIKeySPEGKWSWXLZYMX-UHFFFAOYSA-N
XLogP0.62
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.36
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea?
The IUPAC name of 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea (CID 134149319) is 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea.
What is the SMILES notation for 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea?
The canonical SMILES for 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea is CCNC(=S)Nc1cc(N2CCOCC2)ncn1.
What is the InChIKey of 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea?
The InChIKey is SPEGKWSWXLZYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5OS/c1-2-12-11(18)15-9-7-10(14-8-13-9)16-3-5-17-6-4-16/h7-8H,2-6H2,1H3,(H2,12,13,14,15,18).
What are the key properties of 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea?
1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea has a molecular weight of 267.36 g/mol, XLogP of 0.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(6-morpholin-4-ylpyrimidin-4-yl)thiourea is sourced from PubChem (CID 134149319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).