1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine

C20H31N7 — CID 72868243

IUPAC1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCc1cc(N2CCC(NCCc3cn[nH]c3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H31N7/c1-16-13-19(25-20(24-16)27-9-3-2-4-10-27)26-11-6-18(7-12-26)21-8-5-17-14-22-23-15-17/h13-15,18,21H,2-12H2,1H3,(H,22,23)
InChIKeyAMBWTXMHHQAMLM-UHFFFAOYSA-N
MW369.52 g/mol
LogP2.30
Rot. Bonds6

About 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine

1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine (PubChem CID 72868243) has the molecular formula C20H31N7 and a molecular weight of 369.52 g/mol. Its IUPAC name is 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
PubChem CID72868243
Molecular FormulaC20H31N7
Molecular Weight369.52 g/mol
Exact Mass369.26
IUPAC Name1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine
SMILESCc1cc(N2CCC(NCCc3cn[nH]c3)CC2)nc(N2CCCCC2)n1
InChIInChI=1S/C20H31N7/c1-16-13-19(25-20(24-16)27-9-3-2-4-10-27)26-11-6-18(7-12-26)21-8-5-17-14-22-23-15-17/h13-15,18,21H,2-12H2,1H3,(H,22,23)
InChIKeyAMBWTXMHHQAMLM-UHFFFAOYSA-N
XLogP2.30
TPSA72.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.52
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine (CID 72868243) is 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine is Cc1cc(N2CCC(NCCc3cn[nH]c3)CC2)nc(N2CCCCC2)n1.
What is the InChIKey of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine?
The InChIKey is AMBWTXMHHQAMLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N7/c1-16-13-19(25-20(24-16)27-9-3-2-4-10-27)26-11-6-18(7-12-26)21-8-5-17-14-22-23-15-17/h13-15,18,21H,2-12H2,1H3,(H,22,23).
What are the key properties of 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine?
1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine has a molecular weight of 369.52 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)-N-[2-(1H-pyrazol-4-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 72868243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).