4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

C18H21N3O4 — CID 137140093

IUPAC4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCc1ccc(C(=O)N2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)cc1
InChIInChI=1S/C18H21N3O4/c1-12-19-15(9-17(22)20-12)16-11-25-8-7-21(16)18(23)14-5-3-13(4-6-14)10-24-2/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,20,22)/t16-/m1/s1
InChIKeyPOHZRZASXCVFSP-MRXNPFEDSA-N
MW343.38 g/mol
LogP1.44
Rot. Bonds4

About 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one

4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (PubChem CID 137140093) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
PubChem CID137140093
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
SMILESCOCc1ccc(C(=O)N2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)cc1
InChIInChI=1S/C18H21N3O4/c1-12-19-15(9-17(22)20-12)16-11-25-8-7-21(16)18(23)14-5-3-13(4-6-14)10-24-2/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,20,22)/t16-/m1/s1
InChIKeyPOHZRZASXCVFSP-MRXNPFEDSA-N
XLogP1.44
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-4-[4-(2-methyl-1-benzofuran-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844612
4-[(3S)-4-[2-(dimethylamino)pyrimidine-5-carbonyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137131793
4-[4-(2-methoxypyridine-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844551
4-[(3R)-4-(1-ethyl-3-methylpyrazole-4-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137166547
4-[(3R)-4-(2,4-dimethyl-1,3-thiazole-5-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137149613
4-[(3S)-4-(1-ethyl-5-methylpyrazole-3-carbonyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137032362
2-methyl-4-[(3S)-4-(4-methylpyrimidine-5-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168474
2-methyl-4-[4-(5-methyl-1,3-oxazole-4-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844565
2-methyl-4-[4-(3-phenoxypropanoyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844639
4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844622
2-methyl-4-[4-(1-methylimidazole-2-carbonyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844628
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one (CID 137140093) is 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is COCc1ccc(C(=O)N2CCOC[C@@H]2c2cc(=O)[nH]c(C)n2)cc1.
What is the InChIKey of 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
The InChIKey is POHZRZASXCVFSP-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-19-15(9-17(22)20-12)16-11-25-8-7-21(16)18(23)14-5-3-13(4-6-14)10-24-2/h3-6,9,16H,7-8,10-11H2,1-2H3,(H,19,20,22)/t16-/m1/s1.
What are the key properties of 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one?
4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one has a molecular weight of 343.38 g/mol, XLogP of 1.44, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-4-[4-(methoxymethyl)benzoyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 137140093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).