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

C17H21N3O3 — CID 137168580

IUPAC4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(CCOc3ccccc3)CCO2)n1
InChIInChI=1S/C17H21N3O3/c1-13-11-16(21)19-17(18-13)15-12-20(8-10-23-15)7-9-22-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)/t15-/m0/s1
InChIKeyIWRSAIODIHDVMH-HNNXBMFYSA-N
MW315.37 g/mol
LogP1.53
Rot. Bonds5

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

4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137168580) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137168580
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(CCOc3ccccc3)CCO2)n1
InChIInChI=1S/C17H21N3O3/c1-13-11-16(21)19-17(18-13)15-12-20(8-10-23-15)7-9-22-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)/t15-/m0/s1
InChIKeyIWRSAIODIHDVMH-HNNXBMFYSA-N
XLogP1.53
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one (CID 137168580) is 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H]2CN(CCOc3ccccc3)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is IWRSAIODIHDVMH-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13-11-16(21)19-17(18-13)15-12-20(8-10-23-15)7-9-22-14-5-3-2-4-6-14/h2-6,11,15H,7-10,12H2,1H3,(H,18,19,21)/t15-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 315.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-4-(2-phenoxyethyl)morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137168580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).