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

C13H20BrN3OS — CID 106481184

IUPAC5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1[nH]c(C2CN(C)CCO2)nc(=S)c1Br
InChIInChI=1S/C13H20BrN3OS/c1-8(2)6-9-11(14)13(19)16-12(15-9)10-7-17(3)4-5-18-10/h8,10H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyBXZJIKQTBLHHPI-UHFFFAOYSA-N
MW346.29 g/mol
LogP3.10
Rot. Bonds3

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

5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (PubChem CID 106481184) has the molecular formula C13H20BrN3OS and a molecular weight of 346.29 g/mol. Its IUPAC name is 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
PubChem CID106481184
Molecular FormulaC13H20BrN3OS
Molecular Weight346.29 g/mol
Exact Mass345.05
IUPAC Name5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
SMILESCC(C)Cc1[nH]c(C2CN(C)CCO2)nc(=S)c1Br
InChIInChI=1S/C13H20BrN3OS/c1-8(2)6-9-11(14)13(19)16-12(15-9)10-7-17(3)4-5-18-10/h8,10H,4-7H2,1-3H3,(H,15,16,19)
InChIKeyBXZJIKQTBLHHPI-UHFFFAOYSA-N
XLogP3.10
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.29
LogP ≤ 53.10
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

5-bromo-2-(1,4-dimethylpiperazin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481117
5-bromo-6-ethyl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106479746
5-bromo-6-propan-2-yl-2-(4-propylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106480010
2-(4-methylmorpholin-2-yl)-1,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidine-4-thione
CID 106478746
6-ethyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidine-4-thione
CID 106476209
5-bromo-2-(chloromethyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481071
4-hydroxy-2-(4-methylmorpholin-2-yl)-5-propyl-1H-pyrimidin-6-one
CID 79077775
5-bromo-2-(4-chlorophenyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481133
5-bromo-2-(2-bromophenyl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione
CID 106481240
2-(4-methylmorpholin-2-yl)-3H-quinazolin-4-one
CID 137099765
4-cyclopentyl-2-(4-methylmorpholin-2-yl)-1H-pyrimidin-6-one
CID 136729455
2-(5-bromo-4-chloro-6-cyclopropylpyrimidin-2-yl)-4-methylmorpholine
CID 79076880

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione (CID 106481184) is 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is CC(C)Cc1[nH]c(C2CN(C)CCO2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
The InChIKey is BXZJIKQTBLHHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3OS/c1-8(2)6-9-11(14)13(19)16-12(15-9)10-7-17(3)4-5-18-10/h8,10H,4-7H2,1-3H3,(H,15,16,19).
What are the key properties of 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione?
5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione has a molecular weight of 346.29 g/mol, XLogP of 3.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-methylmorpholin-2-yl)-6-(2-methylpropyl)-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).