N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine

C17H26N6 — CID 71980330

IUPACN-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cnn(CC)c3)CC2)ncn1
InChIInChI=1S/C17H26N6/c1-3-15-9-17(20-13-19-15)22-7-5-16(6-8-22)18-10-14-11-21-23(4-2)12-14/h9,11-13,16,18H,3-8,10H2,1-2H3
InChIKeyZHOFQYVNSIXTJA-UHFFFAOYSA-N
MW314.44 g/mol
LogP2.01
Rot. Bonds6

About N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine

N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 71980330) has the molecular formula C17H26N6 and a molecular weight of 314.44 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
PubChem CID71980330
Molecular FormulaC17H26N6
Molecular Weight314.44 g/mol
Exact Mass314.22
IUPAC NameN-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
SMILESCCc1cc(N2CCC(NCc3cnn(CC)c3)CC2)ncn1
InChIInChI=1S/C17H26N6/c1-3-15-9-17(20-13-19-15)22-7-5-16(6-8-22)18-10-14-11-21-23(4-2)12-14/h9,11-13,16,18H,3-8,10H2,1-2H3
InChIKeyZHOFQYVNSIXTJA-UHFFFAOYSA-N
XLogP2.01
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1-ethylpyrazol-4-yl)methyl]cyclooctanamine
CID 62126333
N-[(1-ethylpyrazol-4-yl)methyl]-1-propylpiperidin-4-amine
CID 62127257
1-(6-ethylpyrimidin-4-yl)-N-(thiophen-2-ylmethyl)piperidin-4-amine
CID 71980333
N-[(1-ethylpyrazol-4-yl)methyl]oxan-4-amine
CID 62125824
4-[4-(chloromethyl)piperidin-1-yl]-6-ethylpyrimidine
CID 63390468
(3S)-1-(2,6-difluorophenyl)-N-[(1-ethylpyrazol-4-yl)methyl]pyrrolidin-3-amine
CID 97055718
N-[(1-methylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 43675359
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 62593889
4-[4-(1-ethylpyrazol-4-yl)piperidin-1-yl]-6-(3-methylpiperidin-1-yl)pyrimidine
CID 127303052
1-(6-ethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62545846
N-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]methyl]-2-methylpropan-2-amine
CID 62591241
N-(5,5-dimethyloxolan-3-yl)-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine
CID 128804856

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine (CID 71980330) is N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine is CCc1cc(N2CCC(NCc3cnn(CC)c3)CC2)ncn1.
What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is ZHOFQYVNSIXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N6/c1-3-15-9-17(20-13-19-15)22-7-5-16(6-8-22)18-10-14-11-21-23(4-2)12-14/h9,11-13,16,18H,3-8,10H2,1-2H3.
What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine?
N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 314.44 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethylpyrazol-4-yl)methyl]-1-(6-ethylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 71980330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).