5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide

C19H23N5O2 — CID 134819758

IUPAC5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C19H23N5O2/c20-18(21)11-17(25)5-4-14-2-1-3-15(10-14)16-12-22-19(23-13-16)24-6-8-26-9-7-24/h1-3,10,12-13H,4-9,11H2,(H3,20,21)
InChIKeyLHAKAJRWLSEMJZ-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.81
Rot. Bonds7

About 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide

5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide (PubChem CID 134819758) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide.

Molecular Properties

Compound Name5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide
PubChem CID134819758
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide
SMILES[H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCOCC3)nc2)c1
InChIInChI=1S/C19H23N5O2/c20-18(21)11-17(25)5-4-14-2-1-3-15(10-14)16-12-22-19(23-13-16)24-6-8-26-9-7-24/h1-3,10,12-13H,4-9,11H2,(H3,20,21)
InChIKeyLHAKAJRWLSEMJZ-UHFFFAOYSA-N
XLogP1.81
TPSA105.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide?
The IUPAC name of 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide (CID 134819758) is 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide.
What is the SMILES notation for 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide?
The canonical SMILES for 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide is [H]/N=C(\N)CC(=O)CCc1cccc(-c2cnc(N3CCOCC3)nc2)c1.
What is the InChIKey of 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide?
The InChIKey is LHAKAJRWLSEMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c20-18(21)11-17(25)5-4-14-2-1-3-15(10-14)16-12-22-19(23-13-16)24-6-8-26-9-7-24/h1-3,10,12-13H,4-9,11H2,(H3,20,21).
What are the key properties of 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide?
5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide has a molecular weight of 353.43 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]-3-oxopentanimidamide is sourced from PubChem (CID 134819758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).