5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

C10H14BrN3S — CID 106479004

IUPAC5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCCC2)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3S/c1-7-8(11)9(15)13-10(12-7)14-5-3-2-4-6-14/h2-6H2,1H3,(H,12,13,15)
InChIKeyJBLPNCHBTTTYNP-UHFFFAOYSA-N
MW288.21 g/mol
LogP3.20
Rot. Bonds1

About 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione

5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106479004) has the molecular formula C10H14BrN3S and a molecular weight of 288.21 g/mol. Its IUPAC name is 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106479004
Molecular FormulaC10H14BrN3S
Molecular Weight288.21 g/mol
Exact Mass287.01
IUPAC Name5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCc1[nH]c(N2CCCCC2)nc(=S)c1Br
InChIInChI=1S/C10H14BrN3S/c1-7-8(11)9(15)13-10(12-7)14-5-3-2-4-6-14/h2-6H2,1H3,(H,12,13,15)
InChIKeyJBLPNCHBTTTYNP-UHFFFAOYSA-N
XLogP3.20
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.21
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 17606449
5,6-dimethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476605
5-bromo-6-methyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106478974
5-bromo-6-methyl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106478975
2-(azepan-1-yl)-5-bromo-6-methyl-1H-pyrimidine-4-thione
CID 106479002
5-bromo-2-(diethylamino)-6-methyl-1H-pyrimidine-4-thione
CID 106479127
5-bromo-6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106479762
5-bromo-2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106480026
5-bromo-2-piperidin-1-yl-1H-pyrimidine-6-thione
CID 106480794
5-bromo-2-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 113839501
5-bromo-6-tert-butyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 113839522
5-bromo-6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 113839733

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione (CID 106479004) is 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is Cc1[nH]c(N2CCCCC2)nc(=S)c1Br.
What is the InChIKey of 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is JBLPNCHBTTTYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3S/c1-7-8(11)9(15)13-10(12-7)14-5-3-2-4-6-14/h2-6H2,1H3,(H,12,13,15).
What are the key properties of 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione?
5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 288.21 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106479004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).