4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C15H21N5O2 — CID 137140144

IUPAC4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1[nH]ncc1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C15H21N5O2/c1-11-12(7-18-19-11)8-20-4-5-22-14(9-20)3-2-13-6-15(21)17-10-16-13/h6-7,10,14H,2-5,8-9H2,1H3,(H,18,19)(H,16,17,21)/t14-/m0/s1
InChIKeyQFIIYKCPOJFDON-AWEZNQCLSA-N
MW303.37 g/mol
LogP0.64
Rot. Bonds5

About 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 137140144) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID137140144
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESCc1[nH]ncc1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1
InChIInChI=1S/C15H21N5O2/c1-11-12(7-18-19-11)8-20-4-5-22-14(9-20)3-2-13-6-15(21)17-10-16-13/h6-7,10,14H,2-5,8-9H2,1H3,(H,18,19)(H,16,17,21)/t14-/m0/s1
InChIKeyQFIIYKCPOJFDON-AWEZNQCLSA-N
XLogP0.64
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

4-[2-[(2R)-4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137149630
4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
4-[[4-[(5-methyl-1H-pyrazol-4-yl)methyl]-1,4-oxazepan-6-yl]methyl]-1H-pyrimidin-6-one
CID 155900435
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037874
4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137052897
4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844694
4-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844671
4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140068
4-[2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844775
4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131701
(2S)-N,N-dimethyl-2-[2-(6-oxo-1H-pyrimidin-4-yl)ethyl]morpholine-4-sulfonamide
CID 137052917
4-[2-[(2S)-4-pyrazin-2-ylmorpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145707

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 137140144) is 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is Cc1[nH]ncc1CN1CCO[C@@H](CCc2cc(=O)[nH]cn2)C1.
What is the InChIKey of 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is QFIIYKCPOJFDON-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-11-12(7-18-19-11)8-20-4-5-22-14(9-20)3-2-13-6-15(21)17-10-16-13/h6-7,10,14H,2-5,8-9H2,1H3,(H,18,19)(H,16,17,21)/t14-/m0/s1.
What are the key properties of 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 303.37 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137140144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).