5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one

C17H18N4O3S — CID 136826351

IUPAC5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(S[C@H](C)C(=O)N2CCNC2=O)[nH]c1=O
InChIInChI=1S/C17H18N4O3S/c1-10-13(12-6-4-3-5-7-12)19-16(20-14(10)22)25-11(2)15(23)21-9-8-18-17(21)24/h3-7,11H,8-9H2,1-2H3,(H,18,24)(H,19,20,22)/t11-/m1/s1
InChIKeyMZQWPYODCNEQJO-LLVKDONJSA-N
MW358.42 g/mol
LogP1.78
Rot. Bonds4

About 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one

5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one (PubChem CID 136826351) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
PubChem CID136826351
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one
SMILESCc1c(-c2ccccc2)nc(S[C@H](C)C(=O)N2CCNC2=O)[nH]c1=O
InChIInChI=1S/C17H18N4O3S/c1-10-13(12-6-4-3-5-7-12)19-16(20-14(10)22)25-11(2)15(23)21-9-8-18-17(21)24/h3-7,11H,8-9H2,1-2H3,(H,18,24)(H,19,20,22)/t11-/m1/s1
InChIKeyMZQWPYODCNEQJO-LLVKDONJSA-N
XLogP1.78
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Launch Full Analysis

Related Compounds

1-[(2R)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanoyl]imidazolidin-2-one
CID 40667918
2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-propyl-1H-pyrimidin-6-one
CID 136749109
1-[2-[[5-(3-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 78819708
1-[(2R)-2-[5-(4-methylphenyl)-1-phenylimidazol-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 40675754
1-[2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanoyl]imidazolidin-2-one
CID 17399038
1-[2-[4-(methylamino)quinazolin-2-yl]sulfanylpropanoyl]imidazolidin-2-one
CID 42895998
1-[(2S)-2-(7-methoxy-4-phenylquinolin-2-yl)sulfanylpropanoyl]imidazolidin-2-one
CID 40679039
methyl 2-[6-oxo-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-1H-pyrimidin-4-yl]acetate
CID 135780845
1-[(2R)-2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 8734449
1-[2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091997
1-[2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanoyl]imidazolidin-2-one
CID 18091672
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoate
CID 6919625

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The IUPAC name of 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one (CID 136826351) is 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one is Cc1c(-c2ccccc2)nc(S[C@H](C)C(=O)N2CCNC2=O)[nH]c1=O.
What is the InChIKey of 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
The InChIKey is MZQWPYODCNEQJO-LLVKDONJSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-10-13(12-6-4-3-5-7-12)19-16(20-14(10)22)25-11(2)15(23)21-9-8-18-17(21)24/h3-7,11H,8-9H2,1-2H3,(H,18,24)(H,19,20,22)/t11-/m1/s1.
What are the key properties of 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one?
5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one has a molecular weight of 358.42 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[(2R)-1-oxo-1-(2-oxoimidazolidin-1-yl)propan-2-yl]sulfanyl-4-phenyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136826351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).