5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione

C11H14BrN3OS — CID 106480327

IUPAC5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c(C2CC2)c1Br
InChIInChI=1S/C11H14BrN3OS/c12-8-9(7-1-2-7)13-11(14-10(8)17)15-3-5-16-6-4-15/h7H,1-6H2,(H,13,14,17)
InChIKeyHKSUGNIENJTALS-UHFFFAOYSA-N
MW316.22 g/mol
LogP2.62
Rot. Bonds2

About 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione

5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106480327) has the molecular formula C11H14BrN3OS and a molecular weight of 316.22 g/mol. Its IUPAC name is 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
PubChem CID106480327
Molecular FormulaC11H14BrN3OS
Molecular Weight316.22 g/mol
Exact Mass315.00
IUPAC Name5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESS=c1nc(N2CCOCC2)[nH]c(C2CC2)c1Br
InChIInChI=1S/C11H14BrN3OS/c12-8-9(7-1-2-7)13-11(14-10(8)17)15-3-5-16-6-4-15/h7H,1-6H2,(H,13,14,17)
InChIKeyHKSUGNIENJTALS-UHFFFAOYSA-N
XLogP2.62
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.22
LogP ≤ 52.62
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-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
5-bromo-6-tert-butyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479570
5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479808
5-bromo-6-(2-methylpropyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106481103
5-bromo-6-cyclopentyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106482108
5-bromo-2-morpholin-4-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 113839604

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (CID 106480327) is 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is S=c1nc(N2CCOCC2)[nH]c(C2CC2)c1Br.
What is the InChIKey of 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is HKSUGNIENJTALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3OS/c12-8-9(7-1-2-7)13-11(14-10(8)17)15-3-5-16-6-4-15/h7H,1-6H2,(H,13,14,17).
What are the key properties of 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 316.22 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).