N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide

C23H30N4O4 — CID 90491812

IUPACN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
SMILESCc1nc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H30N4O4/c1-18-25-20(27-10-15-30-16-11-27)17-21(26-18)31-14-9-24-22(28)23(7-12-29-13-8-23)19-5-3-2-4-6-19/h2-6,17H,7-16H2,1H3,(H,24,28)
InChIKeyZBFCIUAUWAUUID-UHFFFAOYSA-N
MW426.52 g/mol
LogP1.87
Rot. Bonds7

About N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide

N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide (PubChem CID 90491812) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
PubChem CID90491812
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide
SMILESCc1nc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc(N2CCOCC2)n1
InChIInChI=1S/C23H30N4O4/c1-18-25-20(27-10-15-30-16-11-27)17-21(26-18)31-14-9-24-22(28)23(7-12-29-13-8-23)19-5-3-2-4-6-19/h2-6,17H,7-16H2,1H3,(H,24,28)
InChIKeyZBFCIUAUWAUUID-UHFFFAOYSA-N
XLogP1.87
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(2-methyl-6-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl]-4-phenyloxane-4-carboxamide
CID 122293827
2-methyl-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491617
2-(2-chlorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491668
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]cyclopropanecarboxamide
CID 90491744
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]quinoline-2-carboxamide
CID 90491761
2-(2-fluorophenoxy)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]acetamide
CID 90491762
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(trifluoromethyl)benzamide
CID 90491773
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3,5-dinitrobenzamide
CID 90491741
1-(4-chlorophenyl)-N-[2-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]ethyl]cyclopentane-1-carboxamide
CID 122294119
2-chloro-4-fluoro-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]benzamide
CID 90491734
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 90491826
3-(4-fluorophenyl)-N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-1H-pyrazole-5-carboxamide
CID 90491814

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide (CID 90491812) is N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide is Cc1nc(OCCNC(=O)C2(c3ccccc3)CCOCC2)cc(N2CCOCC2)n1.
What is the InChIKey of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide?
The InChIKey is ZBFCIUAUWAUUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-18-25-20(27-10-15-30-16-11-27)17-21(26-18)31-14-9-24-22(28)23(7-12-29-13-8-23)19-5-3-2-4-6-19/h2-6,17H,7-16H2,1H3,(H,24,28).
What are the key properties of N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide?
N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)oxyethyl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 90491812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).