N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide

C27H41N5O2 — CID 91135293

IUPACN,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide
SMILESCCCN(CC)c1nc(N(CC)c2c(C)cc(C)cc2C)nc(C)c1C(=O)C(=O)N(CC)CC
InChIInChI=1S/C27H41N5O2/c1-10-15-31(13-4)25-22(24(33)26(34)30(11-2)12-3)21(9)28-27(29-25)32(14-5)23-19(7)16-18(6)17-20(23)8/h16-17H,10-15H2,1-9H3
InChIKeyIRUXCSXESDMVRR-UHFFFAOYSA-N
MW467.66 g/mol
LogP5.16
Rot. Bonds11

About N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide

N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide (PubChem CID 91135293) has the molecular formula C27H41N5O2 and a molecular weight of 467.66 g/mol. Its IUPAC name is N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide.

Molecular Properties

Compound NameN,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide
PubChem CID91135293
Molecular FormulaC27H41N5O2
Molecular Weight467.66 g/mol
Exact Mass467.33
IUPAC NameN,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide
SMILESCCCN(CC)c1nc(N(CC)c2c(C)cc(C)cc2C)nc(C)c1C(=O)C(=O)N(CC)CC
InChIInChI=1S/C27H41N5O2/c1-10-15-31(13-4)25-22(24(33)26(34)30(11-2)12-3)21(9)28-27(29-25)32(14-5)23-19(7)16-18(6)17-20(23)8/h16-17H,10-15H2,1-9H3
InChIKeyIRUXCSXESDMVRR-UHFFFAOYSA-N
XLogP5.16
TPSA69.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.66
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide?
The IUPAC name of N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide (CID 91135293) is N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide.
What is the SMILES notation for N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide?
The canonical SMILES for N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide is CCCN(CC)c1nc(N(CC)c2c(C)cc(C)cc2C)nc(C)c1C(=O)C(=O)N(CC)CC.
What is the InChIKey of N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide?
The InChIKey is IRUXCSXESDMVRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H41N5O2/c1-10-15-31(13-4)25-22(24(33)26(34)30(11-2)12-3)21(9)28-27(29-25)32(14-5)23-19(7)16-18(6)17-20(23)8/h16-17H,10-15H2,1-9H3.
What are the key properties of N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide?
N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide has a molecular weight of 467.66 g/mol, XLogP of 5.16, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[4-[ethyl(propyl)amino]-2-(N-ethyl-2,4,6-trimethylanilino)-6-methylpyrimidin-5-yl]-2-oxoacetamide is sourced from PubChem (CID 91135293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).