2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione

C12H19N3S — CID 106475327

IUPAC2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-9(2)10-8-11(16)14-12(13-10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyVREFPWOTTWGDGW-UHFFFAOYSA-N
MW237.37 g/mol
LogP3.25
Rot. Bonds2

About 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione

2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione (PubChem CID 106475327) has the molecular formula C12H19N3S and a molecular weight of 237.37 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione.

Molecular Properties

Compound Name2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
PubChem CID106475327
Molecular FormulaC12H19N3S
Molecular Weight237.37 g/mol
Exact Mass237.13
IUPAC Name2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione
SMILESCC(C)c1cc(=S)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C12H19N3S/c1-9(2)10-8-11(16)14-12(13-10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16)
InChIKeyVREFPWOTTWGDGW-UHFFFAOYSA-N
XLogP3.25
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 53.25
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-(dimethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475326
2-(diethylamino)-6-propan-2-yl-1H-pyrimidine-4-thione
CID 106475443
6-tert-butyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106475804
6-ethyl-2-(4-methylpiperazin-1-yl)-1H-pyrimidine-4-thione
CID 106476055

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
The IUPAC name of 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione (CID 106475327) is 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione.
What is the SMILES notation for 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
The canonical SMILES for 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione is CC(C)c1cc(=S)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
The InChIKey is VREFPWOTTWGDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3S/c1-9(2)10-8-11(16)14-12(13-10)15-6-4-3-5-7-15/h8-9H,3-7H2,1-2H3,(H,13,14,16).
What are the key properties of 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione?
2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione has a molecular weight of 237.37 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-propan-2-yl-1H-pyrimidine-4-thione is sourced from PubChem (CID 106475327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).