2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

C17H23N5O3 — CID 136793086

IUPAC2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1
InChIInChI=1S/C17H23N5O3/c1-11-8-15(23)19-17(18-11)14-10-22(6-7-25-14)16(24)5-4-13-9-21(3)20-12(13)2/h8-9,14H,4-7,10H2,1-3H3,(H,18,19,23)
InChIKeyKTICASQENLXTNL-UHFFFAOYSA-N
MW345.40 g/mol
LogP0.65
Rot. Bonds4

About 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one

2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (PubChem CID 136793086) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
PubChem CID136793086
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(C2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1
InChIInChI=1S/C17H23N5O3/c1-11-8-15(23)19-17(18-11)14-10-22(6-7-25-14)16(24)5-4-13-9-21(3)20-12(13)2/h8-9,14H,4-7,10H2,1-3H3,(H,18,19,23)
InChIKeyKTICASQENLXTNL-UHFFFAOYSA-N
XLogP0.65
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-[(2S)-4-[3-(2-fluorophenyl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137169800
N-[2-[(2R)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]methanesulfonamide
CID 137131786
4-methyl-2-[(2S)-4-(pyrimidine-5-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137168597
4-[2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136793128
1-[2-[2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]-2-oxoethyl]azepan-2-one
CID 136793093
3-(1,3-dimethylpyrazol-4-yl)-1-[(2S)-2-[2-(6-methylpyrimidin-4-yl)ethyl]morpholin-4-yl]propan-1-one
CID 124948479
4-methyl-2-[4-(1-propylpyrazole-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 136844343
2-[(2R)-4-(2-hydroxyethyl)morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145647
2-[(2R)-4-[2-(2-fluorophenoxy)acetyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one
CID 137145675
2-[(2S)-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)morpholin-4-yl]acetic acid
CID 137037818
4-methyl-2-[(2R)-4-(thiophene-3-carbonyl)morpholin-2-yl]-1H-pyrimidin-6-one
CID 137044860
1-[(2R)-2-[2-(2-amino-4-pyridinyl)ethyl]morpholin-4-yl]-3-(1,3-dimethylpyrazol-4-yl)propan-1-one
CID 125003433

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one (CID 136793086) is 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(C2CN(C(=O)CCc3cn(C)nc3C)CCO2)n1.
What is the InChIKey of 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
The InChIKey is KTICASQENLXTNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-11-8-15(23)19-17(18-11)14-10-22(6-7-25-14)16(24)5-4-13-9-21(3)20-12(13)2/h8-9,14H,4-7,10H2,1-3H3,(H,18,19,23).
What are the key properties of 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one?
2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one has a molecular weight of 345.40 g/mol, XLogP of 0.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,3-dimethylpyrazol-4-yl)propanoyl]morpholin-2-yl]-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136793086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).