1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

C14H17N5O3 — CID 124946055

IUPAC1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1cnc([C@H]2COCCN2C(=O)Cn2cccnc2=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-10-7-16-13(17-10)11-9-22-6-5-19(11)12(20)8-18-4-2-3-15-14(18)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyBVPCIBWXQPHLLA-LLVKDONJSA-N
MW303.32 g/mol
LogP-0.13
Rot. Bonds3

About 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one

1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (PubChem CID 124946055) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.

Molecular Properties

Compound Name1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
PubChem CID124946055
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
SMILESCc1cnc([C@H]2COCCN2C(=O)Cn2cccnc2=O)[nH]1
InChIInChI=1S/C14H17N5O3/c1-10-7-16-13(17-10)11-9-22-6-5-19(11)12(20)8-18-4-2-3-15-14(18)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,17)/t11-/m1/s1
InChIKeyBVPCIBWXQPHLLA-LLVKDONJSA-N
XLogP-0.13
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one with MolForge

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Related Compounds

1-[2-[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-oxoethyl]pyrimidin-2-one
CID 125021644
3-[2-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]-1,3-benzoxazol-2-one
CID 124958382
1-[2-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one
CID 125013405
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-(oxan-4-yl)methanone
CID 125016255
2-(3-fluorophenoxy)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105469
2-(3,5-dimethyl-1H-pyrazol-4-yl)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 110105409
1-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)ethanone
CID 124983270
(E)-1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-phenylprop-2-en-1-one
CID 110105388
[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-quinolin-8-ylmethanone
CID 110105482
[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 125017180
2-(2-chloro-6-fluorophenyl)-1-[(3R)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]ethanone
CID 124995719
1-[3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)propan-1-one
CID 110105531

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The IUPAC name of 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one (CID 124946055) is 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one.
What is the SMILES notation for 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The canonical SMILES for 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is Cc1cnc([C@H]2COCCN2C(=O)Cn2cccnc2=O)[nH]1.
What is the InChIKey of 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
The InChIKey is BVPCIBWXQPHLLA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-10-7-16-13(17-10)11-9-22-6-5-19(11)12(20)8-18-4-2-3-15-14(18)21/h2-4,7,11H,5-6,8-9H2,1H3,(H,16,17)/t11-/m1/s1.
What are the key properties of 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one?
1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one has a molecular weight of 303.32 g/mol, XLogP of -0.13, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]-2-oxoethyl]pyrimidin-2-one is sourced from PubChem (CID 124946055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).