2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone

C20H33N5O2 — CID 56655175

IUPAC2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(C)COc1cc(N2CCN(C(=O)CNC3CCCCC3)CC2)ncn1
InChIInChI=1S/C20H33N5O2/c1-16(2)14-27-19-12-18(22-15-23-19)24-8-10-25(11-9-24)20(26)13-21-17-6-4-3-5-7-17/h12,15-17,21H,3-11,13-14H2,1-2H3
InChIKeyMSJGKDDIAQJVAN-UHFFFAOYSA-N
MW375.52 g/mol
LogP2.08
Rot. Bonds7

About 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone

2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 56655175) has the molecular formula C20H33N5O2 and a molecular weight of 375.52 g/mol. Its IUPAC name is 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID56655175
Molecular FormulaC20H33N5O2
Molecular Weight375.52 g/mol
Exact Mass375.26
IUPAC Name2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(C)COc1cc(N2CCN(C(=O)CNC3CCCCC3)CC2)ncn1
InChIInChI=1S/C20H33N5O2/c1-16(2)14-27-19-12-18(22-15-23-19)24-8-10-25(11-9-24)20(26)13-21-17-6-4-3-5-7-17/h12,15-17,21H,3-11,13-14H2,1-2H3
InChIKeyMSJGKDDIAQJVAN-UHFFFAOYSA-N
XLogP2.08
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.52
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 56655175) is 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(C)COc1cc(N2CCN(C(=O)CNC3CCCCC3)CC2)ncn1.
What is the InChIKey of 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is MSJGKDDIAQJVAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5O2/c1-16(2)14-27-19-12-18(22-15-23-19)24-8-10-25(11-9-24)20(26)13-21-17-6-4-3-5-7-17/h12,15-17,21H,3-11,13-14H2,1-2H3.
What are the key properties of 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone?
2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 375.52 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-1-[4-[6-(2-methylpropoxy)pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 56655175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).