6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione

C13H21N3S — CID 106481296

IUPAC6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C13H21N3S/c1-10(2)8-11-9-12(17)15-13(14-11)16-6-4-3-5-7-16/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyPCLKSHWNHJXINB-UHFFFAOYSA-N
MW251.40 g/mol
LogP3.33
Rot. Bonds3

About 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione

6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione (PubChem CID 106481296) has the molecular formula C13H21N3S and a molecular weight of 251.40 g/mol. Its IUPAC name is 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
PubChem CID106481296
Molecular FormulaC13H21N3S
Molecular Weight251.40 g/mol
Exact Mass251.15
IUPAC Name6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione
SMILESCC(C)Cc1cc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C13H21N3S/c1-10(2)8-11-9-12(17)15-13(14-11)16-6-4-3-5-7-16/h9-10H,3-8H2,1-2H3,(H,14,15,17)
InChIKeyPCLKSHWNHJXINB-UHFFFAOYSA-N
XLogP3.33
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.40
LogP ≤ 53.33
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-(1-Methylpiperidin-4-yl)-1,4-dihydropyrimidin-2-amine
CID 118303286
6-methyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 17606449
2-(4-methylpiperazin-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475046
2-(azepan-1-yl)-6-propyl-1H-pyrimidine-4-thione
CID 106475069
2-piperidin-1-yl-6-propyl-1H-pyrimidine-4-thione
CID 106475071
2-(diethylamino)-6-propyl-1H-pyrimidine-4-thione
CID 106475190
6-propan-2-yl-2-pyrrolidin-1-yl-1H-pyrimidine-4-thione
CID 106475303
2-(azepan-1-yl)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475325
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475327
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-ethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476055
6-ethyl-2-piperidin-1-yl-1H-pyrimidine-4-thione
CID 106476082

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The IUPAC name of 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione (CID 106481296) is 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione is CC(C)Cc1cc(=S)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
The InChIKey is PCLKSHWNHJXINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3S/c1-10(2)8-11-9-12(17)15-13(14-11)16-6-4-3-5-7-16/h9-10H,3-8H2,1-2H3,(H,14,15,17).
What are the key properties of 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione?
6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione has a molecular weight of 251.40 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylpropyl)-2-piperidin-1-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106481296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).