N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide

C24H27N5O3 — CID 175250592

IUPACN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)cc1
InChIInChI=1S/C24H27N5O3/c1-25-14-23(31)27-19-7-5-17(6-8-19)20-12-21(22-13-26-9-10-32-22)29-24(28-20)18-4-2-3-16(11-18)15-30/h2-8,11-12,22,25-26,30H,9-10,13-15H2,1H3,(H,27,31)
InChIKeyUZFLONZMBKSUBE-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.12
Rot. Bonds7

About N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide

N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide (PubChem CID 175250592) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide.

Molecular Properties

Compound NameN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide
PubChem CID175250592
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC NameN-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide
SMILESCNCC(=O)Nc1ccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)cc1
InChIInChI=1S/C24H27N5O3/c1-25-14-23(31)27-19-7-5-17(6-8-19)20-12-21(22-13-26-9-10-32-22)29-24(28-20)18-4-2-3-16(11-18)15-30/h2-8,11-12,22,25-26,30H,9-10,13-15H2,1H3,(H,27,31)
InChIKeyUZFLONZMBKSUBE-UHFFFAOYSA-N
XLogP2.12
TPSA108.40 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide?
The IUPAC name of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide (CID 175250592) is N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide.
What is the SMILES notation for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide?
The canonical SMILES for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide is CNCC(=O)Nc1ccc(-c2cc(C3CNCCO3)nc(-c3cccc(CO)c3)n2)cc1.
What is the InChIKey of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide?
The InChIKey is UZFLONZMBKSUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-25-14-23(31)27-19-7-5-17(6-8-19)20-12-21(22-13-26-9-10-32-22)29-24(28-20)18-4-2-3-16(11-18)15-30/h2-8,11-12,22,25-26,30H,9-10,13-15H2,1H3,(H,27,31).
What are the key properties of N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide?
N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide has a molecular weight of 433.51 g/mol, XLogP of 2.12, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-(hydroxymethyl)phenyl]-6-morpholin-2-ylpyrimidin-4-yl]phenyl]-2-(methylamino)acetamide is sourced from PubChem (CID 175250592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).