5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione

C10H14BrN3OS — CID 106480980

IUPAC5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
SMILESCCN1CCOC(c2ncc(Br)c(=S)[nH]2)C1
InChIInChI=1S/C10H14BrN3OS/c1-2-14-3-4-15-8(6-14)9-12-5-7(11)10(16)13-9/h5,8H,2-4,6H2,1H3,(H,12,13,16)
InChIKeyDEPOLLFIGMGRKV-UHFFFAOYSA-N
MW304.21 g/mol
LogP2.29
Rot. Bonds2

About 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione

5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione (PubChem CID 106480980) has the molecular formula C10H14BrN3OS and a molecular weight of 304.21 g/mol. Its IUPAC name is 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione.

Molecular Properties

Compound Name5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
PubChem CID106480980
Molecular FormulaC10H14BrN3OS
Molecular Weight304.21 g/mol
Exact Mass303.00
IUPAC Name5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione
SMILESCCN1CCOC(c2ncc(Br)c(=S)[nH]2)C1
InChIInChI=1S/C10H14BrN3OS/c1-2-14-3-4-15-8(6-14)9-12-5-7(11)10(16)13-9/h5,8H,2-4,6H2,1H3,(H,12,13,16)
InChIKeyDEPOLLFIGMGRKV-UHFFFAOYSA-N
XLogP2.29
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 ≤ 52.29
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-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-5-bromo-1H-pyrimidine-6-thione
CID 106480824
[2-(4-propylmorpholin-2-yl)-1H-imidazol-5-yl]methanamine
CID 79657962
2-(4-propylmorpholin-2-yl)-1H-imidazole-5-carbaldehyde
CID 79657119
(2S)-4-(1-ethylpiperidin-4-yl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125012121
2-(5-methyl-1H-imidazol-2-yl)-4-(oxan-4-ylmethyl)morpholine
CID 110104945
(2S)-4-[(2,5-difluorophenyl)methyl]-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 124963019
(2R)-4-(1H-imidazol-5-ylmethyl)-2-(5-methyl-1H-imidazol-2-yl)morpholine
CID 125017640
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479746
2-(5-methyl-1H-imidazol-2-yl)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholine
CID 110104978
5-bromo-2-(4-propylmorpholin-2-yl)pyrimidin-4-amine
CID 79657263
4-ethyl-2-(5-methylthiophen-2-yl)morpholine
CID 174485683
(2R)-2-(5-methyl-1H-imidazol-2-yl)-4-(3-phenylpropyl)morpholine
CID 124987098

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione?
The IUPAC name of 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione (CID 106480980) is 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione.
What is the SMILES notation for 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione?
The canonical SMILES for 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione is CCN1CCOC(c2ncc(Br)c(=S)[nH]2)C1.
What is the InChIKey of 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione?
The InChIKey is DEPOLLFIGMGRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3OS/c1-2-14-3-4-15-8(6-14)9-12-5-7(11)10(16)13-9/h5,8H,2-4,6H2,1H3,(H,12,13,16).
What are the key properties of 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione?
5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione has a molecular weight of 304.21 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-ethylmorpholin-2-yl)-1H-pyrimidine-6-thione is sourced from PubChem (CID 106480980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).