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

C17H28N8S — CID 72935023

IUPAC1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
SMILESCCc1c(C)nc(C)nc1N1CCC(NCCSc2nnnn2C)CC1
InChIInChI=1S/C17H28N8S/c1-5-15-12(2)19-13(3)20-16(15)25-9-6-14(7-10-25)18-8-11-26-17-21-22-23-24(17)4/h14,18H,5-11H2,1-4H3
InChIKeyTUXFVDPZEJLMDO-UHFFFAOYSA-N
MW376.53 g/mol
LogP1.53
Rot. Bonds7

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

1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine (PubChem CID 72935023) has the molecular formula C17H28N8S and a molecular weight of 376.53 g/mol. Its IUPAC name is 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
PubChem CID72935023
Molecular FormulaC17H28N8S
Molecular Weight376.53 g/mol
Exact Mass376.22
IUPAC Name1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
SMILESCCc1c(C)nc(C)nc1N1CCC(NCCSc2nnnn2C)CC1
InChIInChI=1S/C17H28N8S/c1-5-15-12(2)19-13(3)20-16(15)25-9-6-14(7-10-25)18-8-11-26-17-21-22-23-24(17)4/h14,18H,5-11H2,1-4H3
InChIKeyTUXFVDPZEJLMDO-UHFFFAOYSA-N
XLogP1.53
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.53
LogP ≤ 51.53
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-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The IUPAC name of 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine (CID 72935023) is 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The canonical SMILES for 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine is CCc1c(C)nc(C)nc1N1CCC(NCCSc2nnnn2C)CC1.
What is the InChIKey of 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The InChIKey is TUXFVDPZEJLMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N8S/c1-5-15-12(2)19-13(3)20-16(15)25-9-6-14(7-10-25)18-8-11-26-17-21-22-23-24(17)4/h14,18H,5-11H2,1-4H3.
What are the key properties of 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine has a molecular weight of 376.53 g/mol, XLogP of 1.53, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine is sourced from PubChem (CID 72935023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).