1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine

C15H24N8S — CID 72933985

IUPAC1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
SMILESCc1cc(C)nc(N2CCC(NCCSc3nnnn3C)CC2)n1
InChIInChI=1S/C15H24N8S/c1-11-10-12(2)18-14(17-11)23-7-4-13(5-8-23)16-6-9-24-15-19-20-21-22(15)3/h10,13,16H,4-9H2,1-3H3
InChIKeyUFSQIXFFBWAUKT-UHFFFAOYSA-N
MW348.48 g/mol
LogP0.97
Rot. Bonds6

About 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine

1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine (PubChem CID 72933985) has the molecular formula C15H24N8S and a molecular weight of 348.48 g/mol. Its IUPAC name is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
PubChem CID72933985
Molecular FormulaC15H24N8S
Molecular Weight348.48 g/mol
Exact Mass348.18
IUPAC Name1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
SMILESCc1cc(C)nc(N2CCC(NCCSc3nnnn3C)CC2)n1
InChIInChI=1S/C15H24N8S/c1-11-10-12(2)18-14(17-11)23-7-4-13(5-8-23)16-6-9-24-15-19-20-21-22(15)3/h10,13,16H,4-9H2,1-3H3
InChIKeyUFSQIXFFBWAUKT-UHFFFAOYSA-N
XLogP0.97
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.48
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The IUPAC name of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine (CID 72933985) is 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine.
What is the SMILES notation for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The canonical SMILES for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine is Cc1cc(C)nc(N2CCC(NCCSc3nnnn3C)CC2)n1.
What is the InChIKey of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The InChIKey is UFSQIXFFBWAUKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N8S/c1-11-10-12(2)18-14(17-11)23-7-4-13(5-8-23)16-6-9-24-15-19-20-21-22(15)3/h10,13,16H,4-9H2,1-3H3.
What are the key properties of 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine has a molecular weight of 348.48 g/mol, XLogP of 0.97, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethylpyrimidin-2-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine is sourced from PubChem (CID 72933985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).