N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide

C19H24N4O5S — CID 25167914

IUPACN-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1CO
InChIInChI=1S/C19H24N4O5S/c1-13(25)20-17-4-3-14(9-15(17)11-24)19-21-16(12-29(2,26)27)10-18(22-19)23-5-7-28-8-6-23/h3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25)
InChIKeyCLJOCMFCGOGJGB-UHFFFAOYSA-N
MW420.49 g/mol
LogP0.98
Rot. Bonds6

About N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide

N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide (PubChem CID 25167914) has the molecular formula C19H24N4O5S and a molecular weight of 420.49 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
PubChem CID25167914
Molecular FormulaC19H24N4O5S
Molecular Weight420.49 g/mol
Exact Mass420.15
IUPAC NameN-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1CO
InChIInChI=1S/C19H24N4O5S/c1-13(25)20-17-4-3-14(9-15(17)11-24)19-21-16(12-29(2,26)27)10-18(22-19)23-5-7-28-8-6-23/h3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25)
InChIKeyCLJOCMFCGOGJGB-UHFFFAOYSA-N
XLogP0.98
TPSA121.72 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
The IUPAC name of N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide (CID 25167914) is N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide.
What is the SMILES notation for N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
The canonical SMILES for N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide is CC(=O)Nc1ccc(-c2nc(CS(C)(=O)=O)cc(N3CCOCC3)n2)cc1CO.
What is the InChIKey of N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
The InChIKey is CLJOCMFCGOGJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5S/c1-13(25)20-17-4-3-14(9-15(17)11-24)19-21-16(12-29(2,26)27)10-18(22-19)23-5-7-28-8-6-23/h3-4,9-10,24H,5-8,11-12H2,1-2H3,(H,20,25).
What are the key properties of N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide?
N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide has a molecular weight of 420.49 g/mol, XLogP of 0.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)-4-[4-(methylsulfonylmethyl)-6-morpholin-4-ylpyrimidin-2-yl]phenyl]acetamide is sourced from PubChem (CID 25167914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).