2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione

C11H17N3OS — CID 106475115

IUPAC2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-3-9-8-10(16)13-11(12-9)14-4-6-15-7-5-14/h8H,2-7H2,1H3,(H,12,13,16)
InChIKeyZGBGXCFXODYBMY-UHFFFAOYSA-N
MW239.34 g/mol
LogP1.93
Rot. Bonds3

About 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione

2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106475115) has the molecular formula C11H17N3OS and a molecular weight of 239.34 g/mol. Its IUPAC name is 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
PubChem CID106475115
Molecular FormulaC11H17N3OS
Molecular Weight239.34 g/mol
Exact Mass239.11
IUPAC Name2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1cc(=S)nc(N2CCOCC2)[nH]1
InChIInChI=1S/C11H17N3OS/c1-2-3-9-8-10(16)13-11(12-9)14-4-6-15-7-5-14/h8H,2-7H2,1H3,(H,12,13,16)
InChIKeyZGBGXCFXODYBMY-UHFFFAOYSA-N
XLogP1.93
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 51.93
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

4-(4,6-Dimethyl-1,4-dihydropyrimidin-2-yl)morpholine
CID 173125912
6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 17606458
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
2-morpholin-4-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475372
6-tert-butyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106475876
6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476133
5-ethyl-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106476897
6-ethyl-5-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106478155
6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106478410
5-bromo-2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106479306

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione (CID 106475115) is 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione is CCCc1cc(=S)nc(N2CCOCC2)[nH]1.
What is the InChIKey of 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is ZGBGXCFXODYBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3OS/c1-2-3-9-8-10(16)13-11(12-9)14-4-6-15-7-5-14/h8H,2-7H2,1H3,(H,12,13,16).
What are the key properties of 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione?
2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 239.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).