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

C16H26N8S — CID 72869668

IUPAC1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NCCSc3nnnn3C)CC2)nc(C)n1
InChIInChI=1S/C16H26N8S/c1-4-13-11-15(19-12(2)18-13)24-8-5-14(6-9-24)17-7-10-25-16-20-21-22-23(16)3/h11,14,17H,4-10H2,1-3H3
InChIKeyUWVZYXYRHHNRSD-UHFFFAOYSA-N
MW362.51 g/mol
LogP1.22
Rot. Bonds7

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

1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine (PubChem CID 72869668) has the molecular formula C16H26N8S and a molecular weight of 362.51 g/mol. Its IUPAC name is 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
PubChem CID72869668
Molecular FormulaC16H26N8S
Molecular Weight362.51 g/mol
Exact Mass362.20
IUPAC Name1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine
SMILESCCc1cc(N2CCC(NCCSc3nnnn3C)CC2)nc(C)n1
InChIInChI=1S/C16H26N8S/c1-4-13-11-15(19-12(2)18-13)24-8-5-14(6-9-24)17-7-10-25-16-20-21-22-23(16)3/h11,14,17H,4-10H2,1-3H3
InChIKeyUWVZYXYRHHNRSD-UHFFFAOYSA-N
XLogP1.22
TPSA84.65 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 51.22
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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Related Compounds

N-[2-(4,5-Dimethyl-1,3-thiazol-2-YL)ethyl]-1-(6-ethyl-2-methylpyrimidin-4-YL)piperidin-4-amine
CID 72929445
1-(4,6-dimethylpyrimidin-2-yl)-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}piperidin-4-amine
CID 72933985
1-(5-ethyl-2,6-dimethylpyrimidin-4-yl)-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}piperidin-4-amine
CID 72935023
4-ethyl-N,N-dimethyl-6-[4-[[(1S)-1-(2-methyl-1,2,4-triazol-3-yl)propyl]amino]piperidin-1-yl]pyrimidin-2-amine
CID 97281561
5-[(E)-4-[4-[2-tert-butyl-6-(trifluoromethyl)pyrimidin-4-yl]piperazin-2-yl]-2-methylbut-2-enyl]sulfanyl-4-methyl-1,2,4-triazol-3-amine
CID 9935043
2-(2-Methyl-6-{4-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]piperazin-1-yl}pyrimidin-4-yl)ethanamine
CID 56714742
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-5-(trifluoromethyl)-1,3,4-thiadiazol-2-amine
CID 133492505
6-isopropyl-2-methyl-N-{2-[(1-methyl-1H-tetrazol-5-yl)thio]ethyl}pyrimidin-4-amine
CID 50975711
2-[2-Methyl-6-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidin-4-yl]ethanamine
CID 56705904
2-Tert-butyl-4-[4-[3-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-propylpyrimidine
CID 11395969
2-Tert-butyl-4-[4-[3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-propylpyrimidine
CID 11419043
2-Tert-butyl-4-[4-[3-[(5-ethyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]propyl]piperazin-1-yl]-6-propylpyrimidine
CID 11517941

Frequently Asked Questions

What is the IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The IUPAC name of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine (CID 72869668) is 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The canonical SMILES for 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine is CCc1cc(N2CCC(NCCSc3nnnn3C)CC2)nc(C)n1.
What is the InChIKey of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
The InChIKey is UWVZYXYRHHNRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N8S/c1-4-13-11-15(19-12(2)18-13)24-8-5-14(6-9-24)17-7-10-25-16-20-21-22-23(16)3/h11,14,17H,4-10H2,1-3H3.
What are the key properties of 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine?
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine has a molecular weight of 362.51 g/mol, XLogP of 1.22, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-ethyl-2-methylpyrimidin-4-yl)-N-[2-(1-methyltetrazol-5-yl)sulfanylethyl]piperidin-4-amine is sourced from PubChem (CID 72869668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).