N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide

C19H24N4O2 — CID 124954482

IUPACN-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@@H]2CN(Cc3cccc(C)c3)CCO2)n1
InChIInChI=1S/C19H24N4O2/c1-14-4-3-5-16(10-14)12-23-8-9-25-18(13-23)19-20-7-6-17(22-19)11-21-15(2)24/h3-7,10,18H,8-9,11-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyFCXSPDDPXDFLOB-SFHVURJKSA-N
MW340.43 g/mol
LogP1.99
Rot. Bonds5

About N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide

N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide (PubChem CID 124954482) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
PubChem CID124954482
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC NameN-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
SMILESCC(=O)NCc1ccnc([C@@H]2CN(Cc3cccc(C)c3)CCO2)n1
InChIInChI=1S/C19H24N4O2/c1-14-4-3-5-16(10-14)12-23-8-9-25-18(13-23)19-20-7-6-17(22-19)11-21-15(2)24/h3-7,10,18H,8-9,11-13H2,1-2H3,(H,21,24)/t18-/m0/s1
InChIKeyFCXSPDDPXDFLOB-SFHVURJKSA-N
XLogP1.99
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-[(2S)-4-[(2-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124950073
N-[[2-[(2R)-4-(1H-imidazol-5-ylmethyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125026880
N-[[2-[(2R)-4-(4-methyl-1,3-oxazole-5-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125015526
2-(5-methyl-1,2,4-oxadiazol-3-yl)-4-[(3-methylphenyl)methyl]morpholine
CID 75482031
N-[[2-[(2R)-4-(3,5-dimethyl-1,2-oxazole-4-carbonyl)morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 124981285
N-[[2-[(2R)-4-propan-2-ylsulfonylmorpholin-2-yl]pyrimidin-4-yl]methyl]acetamide
CID 125019910
methyl 2-[4-[(3-methylphenyl)methyl]morpholin-2-yl]acetate
CID 79822269
N-[[2-[(2S)-4-acetylmorpholin-2-yl]pyrimidin-4-yl]methyl]-3-ethyl-1,2-oxazole-5-carboxamide
CID 124969220
2-[(2S)-2-(1-ethylpyrazol-4-yl)morpholin-4-yl]-N-[(3-methylphenyl)methyl]acetamide
CID 124622493
N-[[2-[(2S)-4-methylmorpholin-2-yl]pyrimidin-4-yl]methyl]-2-thiophen-2-ylacetamide
CID 124980906
(2R)-2-(4-methylpyrimidin-2-yl)-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 125025847
N-[4-[[2-(3-hydroxyphenyl)morpholin-4-yl]methyl]phenyl]acetamide
CID 154751593

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The IUPAC name of N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide (CID 124954482) is N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide.
What is the SMILES notation for N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The canonical SMILES for N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide is CC(=O)NCc1ccnc([C@@H]2CN(Cc3cccc(C)c3)CCO2)n1.
What is the InChIKey of N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
The InChIKey is FCXSPDDPXDFLOB-SFHVURJKSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-4-3-5-16(10-14)12-23-8-9-25-18(13-23)19-20-7-6-17(22-19)11-21-15(2)24/h3-7,10,18H,8-9,11-13H2,1-2H3,(H,21,24)/t18-/m0/s1.
What are the key properties of N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide?
N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide has a molecular weight of 340.43 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(2S)-4-[(3-methylphenyl)methyl]morpholin-2-yl]pyrimidin-4-yl]methyl]acetamide is sourced from PubChem (CID 124954482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).