5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

C10H14BrN3S2 — CID 106478998

IUPAC5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CSCCN2C)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3S2/c1-6-8(11)10(15)13-9(12-6)7-5-16-4-3-14(7)2/h7H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyRPHXDDWKOZBLIT-UHFFFAOYSA-N
MW320.28 g/mol
LogP2.93
Rot. Bonds1

About 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione

5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (PubChem CID 106478998) has the molecular formula C10H14BrN3S2 and a molecular weight of 320.28 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
PubChem CID106478998
Molecular FormulaC10H14BrN3S2
Molecular Weight320.28 g/mol
Exact Mass318.98
IUPAC Name5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
SMILESCc1[nH]c(C2CSCCN2C)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3S2/c1-6-8(11)10(15)13-9(12-6)7-5-16-4-3-14(7)2/h7H,3-5H2,1-2H3,(H,12,13,15)
InChIKeyRPHXDDWKOZBLIT-UHFFFAOYSA-N
XLogP2.93
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.28
LogP ≤ 52.93
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

6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106475577
5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106476601
5-bromo-6-methyl-2-(3-methyl-1,4-dithian-2-yl)-1H-pyrimidine-4-thione
CID 106478989
5-bromo-2-(1,4-dimethylpiperazin-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106479069
5-bromo-2-(1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 106479218
5-bromo-2-(4-methylthiomorpholin-3-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106479255
5-bromo-6-tert-butyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106479523
5-bromo-6-cyclopropyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106480276
5-bromo-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-6-thione
CID 106480787
5-bromo-6-(2-methylpropyl)-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione
CID 106481056
2-(4-methylthiomorpholin-3-yl)-5,7-dihydro-1H-thieno[3,4-d]pyrimidine-4-thione
CID 106481555
5-bromo-2-(5,6-dimethyl-1,4-dithian-2-yl)-6-methyl-1H-pyrimidine-4-thione
CID 113839473

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione (CID 106478998) is 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is Cc1[nH]c(C2CSCCN2C)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
The InChIKey is RPHXDDWKOZBLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3S2/c1-6-8(11)10(15)13-9(12-6)7-5-16-4-3-14(7)2/h7H,3-5H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione?
5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione has a molecular weight of 320.28 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-(4-methylthiomorpholin-3-yl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106478998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).