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

C10H14BrN3OS — CID 106479808

IUPAC5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(N2CCOCC2)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3OS/c1-2-7-8(11)9(16)13-10(12-7)14-3-5-15-6-4-14/h2-6H2,1H3,(H,12,13,16)
InChIKeyRTNZMNLUUPNADR-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.30
Rot. Bonds2

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

5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106479808) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
PubChem CID106479808
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCCc1[nH]c(N2CCOCC2)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3OS/c1-2-7-8(11)9(16)13-10(12-7)14-3-5-15-6-4-14/h2-6H2,1H3,(H,12,13,16)
InChIKeyRTNZMNLUUPNADR-UHFFFAOYSA-N
XLogP2.30
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.21
LogP ≤ 52.30
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

2-morpholin-4-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475115
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
5-bromo-6-methyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106479056
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-cyclopropyl-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106480327
5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106480579
5-bromo-6-(2-methylpropyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
CID 106481103

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione (CID 106479808) is 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is CCc1[nH]c(N2CCOCC2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is RTNZMNLUUPNADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-2-7-8(11)9(16)13-10(12-7)14-3-5-15-6-4-14/h2-6H2,1H3,(H,12,13,16).
What are the key properties of 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione?
5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 304.21 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-ethyl-2-morpholin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).