1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

C17H27N7 — CID 72907206

IUPAC1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NC(C)c2n[nH]c(C)n2)CC1
InChIInChI=1S/C17H27N7/c1-5-14-10-18-12(3)21-17(14)24-8-6-15(7-9-24)19-11(2)16-20-13(4)22-23-16/h10-11,15,19H,5-9H2,1-4H3,(H,20,22,23)
InChIKeyAYQHBROKALAXMX-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.09
Rot. Bonds5

About 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine

1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (PubChem CID 72907206) has the molecular formula C17H27N7 and a molecular weight of 329.45 g/mol. Its IUPAC name is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
PubChem CID72907206
Molecular FormulaC17H27N7
Molecular Weight329.45 g/mol
Exact Mass329.23
IUPAC Name1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine
SMILESCCc1cnc(C)nc1N1CCC(NC(C)c2n[nH]c(C)n2)CC1
InChIInChI=1S/C17H27N7/c1-5-14-10-18-12(3)21-17(14)24-8-6-15(7-9-24)19-11(2)16-20-13(4)22-23-16/h10-11,15,19H,5-9H2,1-4H3,(H,20,22,23)
InChIKeyAYQHBROKALAXMX-UHFFFAOYSA-N
XLogP2.09
TPSA82.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine with MolForge

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Related Compounds

N-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]methanesulfonamide
CID 50972218
5-ethyl-2-methyl-4-[4-[(1R)-1-pyrrolidin-1-ylethyl]piperidin-1-yl]pyrimidine
CID 95135800
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-methylazepane
CID 135092676
N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-1-(2-phenylethyl)piperidin-4-amine
CID 50972662
N-[(1S)-1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]thian-4-amine
CID 95142978
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-methylpyrrolidine-3-carboxamide
CID 50979976
5-[1-(5-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-5-propylimidazolidine-2,4-dione
CID 56714796
5-ethyl-2-methyl-4-[4-(2,2,6,6-tetramethylpiperidin-4-yl)piperazin-1-yl]pyrimidine
CID 50972909
6-ethyl-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]-2-morpholin-4-ylpyrimidin-4-amine
CID 50957093
N-methyl-1-[2-methyl-4-(4-methylsulfanylpiperidin-1-yl)pyrimidin-5-yl]methanamine
CID 114238187
1-(2-methyl-5-propylpyrimidin-4-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]piperidin-4-amine
CID 72853172
1-(5-ethyl-2-methylpyrimidin-4-yl)-4-(imidazol-1-ylmethyl)piperidin-4-ol
CID 50977781

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine (CID 72907206) is 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is CCc1cnc(C)nc1N1CCC(NC(C)c2n[nH]c(C)n2)CC1.
What is the InChIKey of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
The InChIKey is AYQHBROKALAXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N7/c1-5-14-10-18-12(3)21-17(14)24-8-6-15(7-9-24)19-11(2)16-20-13(4)22-23-16/h10-11,15,19H,5-9H2,1-4H3,(H,20,22,23).
What are the key properties of 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine?
1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine has a molecular weight of 329.45 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2-methylpyrimidin-4-yl)-N-[1-(5-methyl-1H-1,2,4-triazol-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72907206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).