N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide

C15H18N6O3 — CID 72718112

IUPACN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
SMILESO=C(COc1ncccn1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C15H18N6O3/c22-14(11-24-15-17-3-1-4-18-15)19-10-12-16-5-2-13(20-12)21-6-8-23-9-7-21/h1-5H,6-11H2,(H,19,22)
InChIKeyCLQFELQUVUCOJH-UHFFFAOYSA-N
MW330.35 g/mol
LogP-0.20
Rot. Bonds6

About N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide

N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide (PubChem CID 72718112) has the molecular formula C15H18N6O3 and a molecular weight of 330.35 g/mol. Its IUPAC name is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
PubChem CID72718112
Molecular FormulaC15H18N6O3
Molecular Weight330.35 g/mol
Exact Mass330.14
IUPAC NameN-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide
SMILESO=C(COc1ncccn1)NCc1nccc(N2CCOCC2)n1
InChIInChI=1S/C15H18N6O3/c22-14(11-24-15-17-3-1-4-18-15)19-10-12-16-5-2-13(20-12)21-6-8-23-9-7-21/h1-5H,6-11H2,(H,19,22)
InChIKeyCLQFELQUVUCOJH-UHFFFAOYSA-N
XLogP-0.20
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.35
LogP ≤ 5-0.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
The IUPAC name of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide (CID 72718112) is N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide.
What is the SMILES notation for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
The canonical SMILES for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide is O=C(COc1ncccn1)NCc1nccc(N2CCOCC2)n1.
What is the InChIKey of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
The InChIKey is CLQFELQUVUCOJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O3/c22-14(11-24-15-17-3-1-4-18-15)19-10-12-16-5-2-13(20-12)21-6-8-23-9-7-21/h1-5H,6-11H2,(H,19,22).
What are the key properties of N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide has a molecular weight of 330.35 g/mol, XLogP of -0.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-morpholin-4-ylpyrimidin-2-yl)methyl]-2-pyrimidin-2-yloxyacetamide is sourced from PubChem (CID 72718112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).