N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

C19H31N7 — CID 72865903

IUPACN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NC(C)c3ncnn3CC)CC2)nc(C)n1
InChIInChI=1S/C19H31N7/c1-5-7-17-12-18(24-15(4)23-17)25-10-8-16(9-11-25)22-14(3)19-20-13-21-26(19)6-2/h12-14,16,22H,5-11H2,1-4H3
InChIKeyPDQKOILWSMONCL-UHFFFAOYSA-N
MW357.51 g/mol
LogP2.67
Rot. Bonds7

About N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72865903) has the molecular formula C19H31N7 and a molecular weight of 357.51 g/mol. Its IUPAC name is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72865903
Molecular FormulaC19H31N7
Molecular Weight357.51 g/mol
Exact Mass357.26
IUPAC NameN-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(NC(C)c3ncnn3CC)CC2)nc(C)n1
InChIInChI=1S/C19H31N7/c1-5-7-17-12-18(24-15(4)23-17)25-10-8-16(9-11-25)22-14(3)19-20-13-21-26(19)6-2/h12-14,16,22H,5-11H2,1-4H3
InChIKeyPDQKOILWSMONCL-UHFFFAOYSA-N
XLogP2.67
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.51
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine with MolForge

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Related Compounds

4-[[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]amino]cyclohexan-1-ol
CID 72849212
N-[(3-methyloxetan-3-yl)methyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72930583
1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 72848013
N-[(1R)-1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-5-propylpyrazolo[1,5-a]pyrimidin-7-amine
CID 95895895
N-propan-2-yl-1-(6-propylpyrimidin-4-yl)pyrrolidin-3-amine
CID 141341274
4-ethyl-2-methyl-6-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
CID 154882608
4-[4-(ethoxymethyl)piperidin-1-yl]-6-ethyl-2-methylpyrimidine
CID 133460751
(5R)-5-ethyl-5-[1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
CID 95206096
1-(6-ethyl-2-methylpyrimidin-4-yl)-N-(3-methoxyphenyl)piperidin-4-amine
CID 133460647
N-[1-(2-ethyl-1,2,4-triazol-3-yl)propyl]-1-(4-fluorophenyl)piperidin-4-amine
CID 122563900
2-[1-(6-ethyl-2-methylpyrimidin-4-yl)piperidin-4-yl]-N-methylacetamide
CID 133461511
N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
CID 72862416

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (CID 72865903) is N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(NC(C)c3ncnn3CC)CC2)nc(C)n1.
What is the InChIKey of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is PDQKOILWSMONCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N7/c1-5-7-17-12-18(24-15(4)23-17)25-10-8-16(9-11-25)22-14(3)19-20-13-21-26(19)6-2/h12-14,16,22H,5-11H2,1-4H3.
What are the key properties of N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 357.51 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-ethyl-1,2,4-triazol-3-yl)ethyl]-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72865903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).