N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide

C26H38N6O2 — CID 58870770

IUPACN-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cnc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)nc1
InChIInChI=1S/C26H38N6O2/c1-5-20(6-2)24(33)29-22-18-27-26(28-19-22)32-16-14-31(15-17-32)23(21-12-10-9-11-13-21)25(34)30(7-3)8-4/h9-13,18-20,23H,5-8,14-17H2,1-4H3,(H,29,33)
InChIKeyOZIHWUWCXYEABX-UHFFFAOYSA-N
MW466.63 g/mol
LogP3.58
Rot. Bonds10

About N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide

N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide (PubChem CID 58870770) has the molecular formula C26H38N6O2 and a molecular weight of 466.63 g/mol. Its IUPAC name is N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide.

Molecular Properties

Compound NameN-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide
PubChem CID58870770
Molecular FormulaC26H38N6O2
Molecular Weight466.63 g/mol
Exact Mass466.31
IUPAC NameN-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide
SMILESCCC(CC)C(=O)Nc1cnc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)nc1
InChIInChI=1S/C26H38N6O2/c1-5-20(6-2)24(33)29-22-18-27-26(28-19-22)32-16-14-31(15-17-32)23(21-12-10-9-11-13-21)25(34)30(7-3)8-4/h9-13,18-20,23H,5-8,14-17H2,1-4H3,(H,29,33)
InChIKeyOZIHWUWCXYEABX-UHFFFAOYSA-N
XLogP3.58
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.63
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide?
The IUPAC name of N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide (CID 58870770) is N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide.
What is the SMILES notation for N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide?
The canonical SMILES for N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide is CCC(CC)C(=O)Nc1cnc(N2CCN(C(C(=O)N(CC)CC)c3ccccc3)CC2)nc1.
What is the InChIKey of N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide?
The InChIKey is OZIHWUWCXYEABX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H38N6O2/c1-5-20(6-2)24(33)29-22-18-27-26(28-19-22)32-16-14-31(15-17-32)23(21-12-10-9-11-13-21)25(34)30(7-3)8-4/h9-13,18-20,23H,5-8,14-17H2,1-4H3,(H,29,33).
What are the key properties of N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide?
N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide has a molecular weight of 466.63 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[2-(diethylamino)-2-oxo-1-phenylethyl]piperazin-1-yl]pyrimidin-5-yl]-2-ethylbutanamide is sourced from PubChem (CID 58870770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).