2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one

C17H19N5O2S — CID 136844600

IUPAC2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2Cc2cn[nH]c2-c2cccs2)cc(=O)[nH]1
InChIInChI=1S/C17H19N5O2S/c1-11-19-13(7-16(23)20-11)14-10-24-5-4-22(14)9-12-8-18-21-17(12)15-3-2-6-25-15/h2-3,6-8,14H,4-5,9-10H2,1H3,(H,18,21)(H,19,20,23)
InChIKeyPGRQNUBFNNBRSB-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.10
Rot. Bonds4

About 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one

2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one (PubChem CID 136844600) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
PubChem CID136844600
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
SMILESCc1nc(C2COCCN2Cc2cn[nH]c2-c2cccs2)cc(=O)[nH]1
InChIInChI=1S/C17H19N5O2S/c1-11-19-13(7-16(23)20-11)14-10-24-5-4-22(14)9-12-8-18-21-17(12)15-3-2-6-25-15/h2-3,6-8,14H,4-5,9-10H2,1H3,(H,18,21)(H,19,20,23)
InChIKeyPGRQNUBFNNBRSB-UHFFFAOYSA-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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Related Compounds

2-methyl-4-[(3S)-4-[(3-methylthiophen-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137168586
2-methyl-4-[(3S)-4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 137030456
2-methyl-4-[4-(thiophen-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844603
2-methyl-4-[4-(pyridin-3-ylmethyl)morpholin-3-yl]-1H-pyrimidin-6-one
CID 136844568
2-methyl-4-[(3R)-4-[(1-methylimidazol-2-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137145685
4-[(3R)-4-[(3-fluoro-2-pyridinyl)methyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137052983
4-[(3S)-4-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 137140075
4-methyl-2-[(2S)-4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137030427
(3S)-3-(4-methyl-1H-pyrazol-5-yl)-4-[(5-phenyl-1H-pyrazol-4-yl)methyl]morpholine
CID 124944669
2-methyl-4-[(3S)-4-[2-(5-methylthiophen-2-yl)acetyl]morpholin-3-yl]-1H-pyrimidin-6-one
CID 137149663
5-ethyl-3-methyl-4-[(2S)-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2-oxazole
CID 92503026
4-[4-[2-(2-methoxy-5-methylphenyl)acetyl]morpholin-3-yl]-2-methyl-1H-pyrimidin-6-one
CID 136844622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one (CID 136844600) is 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one is Cc1nc(C2COCCN2Cc2cn[nH]c2-c2cccs2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
The InChIKey is PGRQNUBFNNBRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-11-19-13(7-16(23)20-11)14-10-24-5-4-22(14)9-12-8-18-21-17(12)15-3-2-6-25-15/h2-3,6-8,14H,4-5,9-10H2,1H3,(H,18,21)(H,19,20,23).
What are the key properties of 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one?
2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-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 2-methyl-4-[4-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]morpholin-3-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).