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

C17H19N5O2S — CID 137030427

IUPAC4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(Cc3cn[nH]c3-c3cccs3)CCO2)n1
InChIInChI=1S/C17H19N5O2S/c1-11-7-15(23)20-17(19-11)13-10-22(4-5-24-13)9-12-8-18-21-16(12)14-3-2-6-25-14/h2-3,6-8,13H,4-5,9-10H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
InChIKeyGXDRFQZKQALUTL-ZDUSSCGKSA-N
MW357.44 g/mol
LogP2.10
Rot. Bonds4

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

4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (PubChem CID 137030427) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
PubChem CID137030427
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c([C@@H]2CN(Cc3cn[nH]c3-c3cccs3)CCO2)n1
InChIInChI=1S/C17H19N5O2S/c1-11-7-15(23)20-17(19-11)13-10-22(4-5-24-13)9-12-8-18-21-16(12)14-3-2-6-25-14/h2-3,6-8,13H,4-5,9-10H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1
InChIKeyGXDRFQZKQALUTL-ZDUSSCGKSA-N
XLogP2.10
TPSA86.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one (CID 137030427) is 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c([C@@H]2CN(Cc3cn[nH]c3-c3cccs3)CCO2)n1.
What is the InChIKey of 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
The InChIKey is GXDRFQZKQALUTL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-7-15(23)20-17(19-11)13-10-22(4-5-24-13)9-12-8-18-21-16(12)14-3-2-6-25-14/h2-3,6-8,13H,4-5,9-10H2,1H3,(H,18,21)(H,19,20,23)/t13-/m0/s1.
What are the key properties of 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one?
4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one has a molecular weight of 357.44 g/mol, XLogP of 2.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137030427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).