4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

C16H20N4O2 — CID 136844694

IUPAC4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=c1cc(CCC2CN(Cc3ccccn3)CCO2)nc[nH]1
InChIInChI=1S/C16H20N4O2/c21-16-9-13(18-12-19-16)4-5-15-11-20(7-8-22-15)10-14-3-1-2-6-17-14/h1-3,6,9,12,15H,4-5,7-8,10-11H2,(H,18,19,21)
InChIKeyNSPSXMYCELHMPN-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.00
Rot. Bonds5

About 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one

4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (PubChem CID 136844694) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
PubChem CID136844694
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
SMILESO=c1cc(CCC2CN(Cc3ccccn3)CCO2)nc[nH]1
InChIInChI=1S/C16H20N4O2/c21-16-9-13(18-12-19-16)4-5-15-11-20(7-8-22-15)10-14-3-1-2-6-17-14/h1-3,6,9,12,15H,4-5,7-8,10-11H2,(H,18,19,21)
InChIKeyNSPSXMYCELHMPN-UHFFFAOYSA-N
XLogP1.00
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[4-(1,3-thiazol-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844671
4-[2-[(2R)-4-[(4-methyl-3-pyridinyl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137149630
4-[2-[(2S)-4-[(1-methylbenzimidazol-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137131701
4-[2-[4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844744
4-[2-[(2R)-4-[(3-methylthiophen-2-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137037874
4-[2-[(2S)-4-[(5-methyl-1H-pyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140144
4-[2-[(2S)-4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137052897
4-[2-[4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 136844775
4-[2-[(2S)-4-[(1-propylpyrazol-4-yl)methyl]morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137140068
4-[2-[(2R)-4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]pyridin-2-amine
CID 124965523
4-[2-[(2S)-4-pyrazin-2-ylmorpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145707
4-[2-[(2R)-4-(6-methyl-2-pyridinyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one
CID 137145761

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one (CID 136844694) is 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is O=c1cc(CCC2CN(Cc3ccccn3)CCO2)nc[nH]1.
What is the InChIKey of 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
The InChIKey is NSPSXMYCELHMPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c21-16-9-13(18-12-19-16)4-5-15-11-20(7-8-22-15)10-14-3-1-2-6-17-14/h1-3,6,9,12,15H,4-5,7-8,10-11H2,(H,18,19,21).
What are the key properties of 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one?
4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one has a molecular weight of 300.36 g/mol, XLogP of 1.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-(pyridin-2-ylmethyl)morpholin-2-yl]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136844694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).