5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one

C11H18N4O2 — CID 115114552

IUPAC5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESNCc1cn(CCN2CCOCC2)cnc1=O
InChIInChI=1S/C11H18N4O2/c12-7-10-8-15(9-13-11(10)16)2-1-14-3-5-17-6-4-14/h8-9H,1-7,12H2
InChIKeyYXKQVFVLEVFALN-UHFFFAOYSA-N
MW238.29 g/mol
LogP-0.97
Rot. Bonds4

About 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one

5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one (PubChem CID 115114552) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one
PubChem CID115114552
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one
SMILESNCc1cn(CCN2CCOCC2)cnc1=O
InChIInChI=1S/C11H18N4O2/c12-7-10-8-15(9-13-11(10)16)2-1-14-3-5-17-6-4-14/h8-9H,1-7,12H2
InChIKeyYXKQVFVLEVFALN-UHFFFAOYSA-N
XLogP-0.97
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 5-0.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The IUPAC name of 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one (CID 115114552) is 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one.
What is the SMILES notation for 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The canonical SMILES for 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one is NCc1cn(CCN2CCOCC2)cnc1=O.
What is the InChIKey of 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one?
The InChIKey is YXKQVFVLEVFALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c12-7-10-8-15(9-13-11(10)16)2-1-14-3-5-17-6-4-14/h8-9H,1-7,12H2.
What are the key properties of 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one?
5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one has a molecular weight of 238.29 g/mol, XLogP of -0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-1-(2-morpholin-4-ylethyl)pyrimidin-4-one is sourced from PubChem (CID 115114552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).