4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C17H23N5O3 — CID 137037840

IUPAC4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)n(CC(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)n1
InChIInChI=1S/C17H23N5O3/c1-12-7-13(2)22(20-12)10-17(24)21-5-6-25-15(9-21)4-3-14-8-16(23)19-11-18-14/h7-8,11,15H,3-6,9-10H2,1-2H3,(H,18,19,23)/t15-/m1/s1
InChIKeyDGBGGQGJLKDOQP-OAHLLOKOSA-N
MW345.40 g/mol
LogP0.44
Rot. Bonds5

About 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137037840) has the molecular formula C17H23N5O3 and a molecular weight of 345.40 g/mol. Its IUPAC name is 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137037840
Molecular FormulaC17H23N5O3
Molecular Weight345.40 g/mol
Exact Mass345.18
IUPAC Name4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1cc(C)n(CC(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)n1
InChIInChI=1S/C17H23N5O3/c1-12-7-13(2)22(20-12)10-17(24)21-5-6-25-15(9-21)4-3-14-8-16(23)19-11-18-14/h7-8,11,15H,3-6,9-10H2,1-2H3,(H,18,19,23)/t15-/m1/s1
InChIKeyDGBGGQGJLKDOQP-OAHLLOKOSA-N
XLogP0.44
TPSA93.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-oxo-4-propylpyrimidin-1(6H)-yl)-N-(2-methoxyethyl)acetamide
CID 7588398
N-cyclopentyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555283
N-cyclohexyl-2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]acetamide
CID 53555368
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]-N-(oxan-4-yl)acetamide
CID 53556912
2-[2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-N-(oxan-4-yl)acetamide
CID 53623838
N-[[1-(2-fluoroethyl)-5-methyl-pyrazol-3-yl]methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735127
2-[2-(3,5-dimethylpyrazol-1-yl)ethyl-methylamino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 129613870
4-[(3S)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperidin-3-yl]-1H-pyrimidin-6-one
CID 136762292
N-[(1,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735109
N-[(2,5-dimethylpyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735115
N-[(1-tert-butyl-5-methyl-pyrazol-3-yl)methyl]-3-hydroxy-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735117
3-hydroxy-N-[(1-isopropyl-5-methyl-pyrazol-3-yl)methyl]-9,9-dimethyl-4-oxo-6,7-dihydropyrimido[2,1-c][1,4]oxazine-2-carboxamide
CID 54735126

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137037840) is 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cc1cc(C)n(CC(=O)N2CCO[C@H](CCc3cc(=O)[nH]cn3)C2)n1.
What is the InChIKey of 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is DGBGGQGJLKDOQP-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O3/c1-12-7-13(2)22(20-12)10-17(24)21-5-6-25-15(9-21)4-3-14-8-16(23)19-11-18-14/h7-8,11,15H,3-6,9-10H2,1-2H3,(H,18,19,23)/t15-/m1/s1.
What are the key properties of 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 345.40 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2R)-4-[2-(3,5-dimethylpyrazol-1-yl)acetyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137037840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).