5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione

C11H15BrN2S — CID 106479327

IUPAC5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(C2(C)CC2)nc(=S)c1Br
InChIInChI=1S/C11H15BrN2S/c1-3-4-7-8(12)9(15)14-10(13-7)11(2)5-6-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyNJFAQDQMQUPOPQ-UHFFFAOYSA-N
MW287.23 g/mol
LogP3.91
Rot. Bonds3

About 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione

5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione (PubChem CID 106479327) has the molecular formula C11H15BrN2S and a molecular weight of 287.23 g/mol. Its IUPAC name is 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
PubChem CID106479327
Molecular FormulaC11H15BrN2S
Molecular Weight287.23 g/mol
Exact Mass286.01
IUPAC Name5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
SMILESCCCc1[nH]c(C2(C)CC2)nc(=S)c1Br
InChIInChI=1S/C11H15BrN2S/c1-3-4-7-8(12)9(15)14-10(13-7)11(2)5-6-11/h3-6H2,1-2H3,(H,13,14,15)
InChIKeyNJFAQDQMQUPOPQ-UHFFFAOYSA-N
XLogP3.91
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.23
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-6-tert-butyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106479558
5-bromo-6-cyclopropyl-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106480282
5-bromo-6-cyclopropyl-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 106480309
5-bromo-6-(2-methylpropyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidine-4-thione
CID 106481063
5-bromo-6-(2-methylpropyl)-2-(3,3,3-trifluoropropyl)-1H-pyrimidine-4-thione
CID 113839738
2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione
CID 106475135
6-ethyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106476150
5-ethyl-6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106476918
6-methyl-2-(1-methylcyclopropyl)-5-propan-2-yl-1H-pyrimidine-4-thione
CID 106477923
6-ethyl-5-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106478175
5-bromo-6-methyl-2-(1-methylcyclopropyl)-1H-pyrimidine-4-thione
CID 106479071
5-bromo-2-(2,2-dimethylpropyl)-6-methyl-1H-pyrimidine-4-thione
CID 106479178

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione (CID 106479327) is 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione is CCCc1[nH]c(C2(C)CC2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione?
The InChIKey is NJFAQDQMQUPOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2S/c1-3-4-7-8(12)9(15)14-10(13-7)11(2)5-6-11/h3-6H2,1-2H3,(H,13,14,15).
What are the key properties of 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione?
5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione has a molecular weight of 287.23 g/mol, XLogP of 3.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-methylcyclopropyl)-6-propyl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).