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

C10H14BrN3O2S — CID 106480579

IUPAC5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCOCc1[nH]c(N2CCOCC2)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3O2S/c1-15-6-7-8(11)9(17)13-10(12-7)14-2-4-16-5-3-14/h2-6H2,1H3,(H,12,13,17)
InChIKeyJZPUMEOUMJQTCO-UHFFFAOYSA-N
MW320.21 g/mol
LogP1.88
Rot. Bonds3

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

5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione (PubChem CID 106480579) has the molecular formula C10H14BrN3O2S and a molecular weight of 320.21 g/mol. Its IUPAC name is 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
PubChem CID106480579
Molecular FormulaC10H14BrN3O2S
Molecular Weight320.21 g/mol
Exact Mass319.00
IUPAC Name5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione
SMILESCOCc1[nH]c(N2CCOCC2)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3O2S/c1-15-6-7-8(11)9(17)13-10(12-7)14-2-4-16-5-3-14/h2-6H2,1H3,(H,12,13,17)
InChIKeyJZPUMEOUMJQTCO-UHFFFAOYSA-N
XLogP1.88
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-ethyl-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480655
5-bromo-2-morpholin-4-yl-6-phenyl-1H-pyrimidine-4-thione
CID 106478887
2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
CID 977254
5-bromo-2-[(1,4-dimethylpiperazin-2-yl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480675
5-bromo-2-(3-bromophenyl)-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480613
5-bromo-2-[(2,6-dichlorophenyl)methyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480618
6-(methoxymethyl)-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106477587
5-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-6-(methoxymethyl)-1H-pyrimidine-4-thione
CID 106480630
5-bromo-2-(methoxymethyl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480222
4-[5-ethyl-4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 135911490
4-(4-ethynyl-5-methyl-1H-imidazol-2-yl)morpholine
CID 91109078
4-methyl-2-morpholin-4-yl-5-pentyl-1H-pyrimidin-6-one
CID 135462710

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione (CID 106480579) is 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione is COCc1[nH]c(N2CCOCC2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
The InChIKey is JZPUMEOUMJQTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O2S/c1-15-6-7-8(11)9(17)13-10(12-7)14-2-4-16-5-3-14/h2-6H2,1H3,(H,12,13,17).
What are the key properties of 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione?
5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione has a molecular weight of 320.21 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-(methoxymethyl)-2-morpholin-4-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106480579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).