N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide

C19H24N4O2 — CID 75477456

IUPACN-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESCc1nccc(CNC(=O)N2CCOC(CCc3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-15-20-10-9-17(22-15)13-21-19(24)23-11-12-25-18(14-23)8-7-16-5-3-2-4-6-16/h2-6,9-10,18H,7-8,11-14H2,1H3,(H,21,24)
InChIKeyKYWDBQJNHDIPJD-UHFFFAOYSA-N
MW340.43 g/mol
LogP2.33
Rot. Bonds5

About N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide

N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide (PubChem CID 75477456) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
PubChem CID75477456
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
SMILESCc1nccc(CNC(=O)N2CCOC(CCc3ccccc3)C2)n1
InChIInChI=1S/C19H24N4O2/c1-15-20-10-9-17(22-15)13-21-19(24)23-11-12-25-18(14-23)8-7-16-5-3-2-4-6-16/h2-6,9-10,18H,7-8,11-14H2,1H3,(H,21,24)
InChIKeyKYWDBQJNHDIPJD-UHFFFAOYSA-N
XLogP2.33
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide
CID 97353311
(3R,4R)-3-ethyl-N-[(2-methylpyrimidin-4-yl)methyl]-4-phenylpiperidine-1-carboxamide
CID 95968998
1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 95968357
N-(oxan-4-yl)-2-(2-phenylethyl)morpholine-4-carboxamide
CID 126776750
3-(4-methyl-1,3-thiazol-5-yl)-1-[(2S)-2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 25382249
N,N-dimethyl-2-(2-phenylethyl)morpholine-4-carboxamide
CID 75521628
(3R)-3-(2-methyl-1,3-dioxolan-2-yl)-N-[(2-methylpyrimidin-4-yl)methyl]piperidine-1-carboxamide
CID 124616039
(2-methylfuran-3-yl)-[2-(2-phenylethyl)morpholin-4-yl]methanone
CID 75504750
[(2S)-2-(2-phenylethyl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95969181
oxan-4-yl-[(2R)-2-(2-phenylethyl)morpholin-4-yl]methanone
CID 25457524
3-(5-methylpyrazol-1-yl)-1-[2-(2-phenylethyl)morpholin-4-yl]propan-1-one
CID 45239749
(2R)-2-benzyl-N-[(1-methylimidazol-2-yl)methyl]morpholine-4-carboxamide
CID 97336922

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The IUPAC name of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide (CID 75477456) is N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide.
What is the SMILES notation for N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The canonical SMILES for N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide is Cc1nccc(CNC(=O)N2CCOC(CCc3ccccc3)C2)n1.
What is the InChIKey of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
The InChIKey is KYWDBQJNHDIPJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-15-20-10-9-17(22-15)13-21-19(24)23-11-12-25-18(14-23)8-7-16-5-3-2-4-6-16/h2-6,9-10,18H,7-8,11-14H2,1H3,(H,21,24).
What are the key properties of N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide?
N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylpyrimidin-4-yl)methyl]-2-(2-phenylethyl)morpholine-4-carboxamide is sourced from PubChem (CID 75477456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).