N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide

C16H20N6O3 — CID 72718392

IUPACN-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
SMILESCc1cc(CNC(=O)COc2ncccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H20N6O3/c1-12-9-13(21-15(20-12)22-5-7-24-8-6-22)10-19-14(23)11-25-16-17-3-2-4-18-16/h2-4,9H,5-8,10-11H2,1H3,(H,19,23)
InChIKeyZDJUWLYQXKDPFI-UHFFFAOYSA-N
MW344.38 g/mol
LogP0.11
Rot. Bonds6

About N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide

N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide (PubChem CID 72718392) has the molecular formula C16H20N6O3 and a molecular weight of 344.38 g/mol. Its IUPAC name is N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide.

Molecular Properties

Compound NameN-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
PubChem CID72718392
Molecular FormulaC16H20N6O3
Molecular Weight344.38 g/mol
Exact Mass344.16
IUPAC NameN-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide
SMILESCc1cc(CNC(=O)COc2ncccn2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H20N6O3/c1-12-9-13(21-15(20-12)22-5-7-24-8-6-22)10-19-14(23)11-25-16-17-3-2-4-18-16/h2-4,9H,5-8,10-11H2,1H3,(H,19,23)
InChIKeyZDJUWLYQXKDPFI-UHFFFAOYSA-N
XLogP0.11
TPSA102.36 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
The IUPAC name of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide (CID 72718392) is N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide.
What is the SMILES notation for N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
The canonical SMILES for N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide is Cc1cc(CNC(=O)COc2ncccn2)nc(N2CCOCC2)n1.
What is the InChIKey of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
The InChIKey is ZDJUWLYQXKDPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O3/c1-12-9-13(21-15(20-12)22-5-7-24-8-6-22)10-19-14(23)11-25-16-17-3-2-4-18-16/h2-4,9H,5-8,10-11H2,1H3,(H,19,23).
What are the key properties of N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide?
N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide has a molecular weight of 344.38 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)methyl]-2-pyrimidin-2-yloxyacetamide is sourced from PubChem (CID 72718392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).