5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one

C15H17N3O2 — CID 56857435

IUPAC5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2cccc(CN3CCOCC3)c2)c[nH]1
InChIInChI=1S/C15H17N3O2/c19-15-16-9-14(10-17-15)13-3-1-2-12(8-13)11-18-4-6-20-7-5-18/h1-3,8-10H,4-7,11H2,(H,16,17,19)
InChIKeyWOGCXURKNAUTEG-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.27
Rot. Bonds3

About 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one

5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one (PubChem CID 56857435) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
PubChem CID56857435
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one
SMILESO=c1ncc(-c2cccc(CN3CCOCC3)c2)c[nH]1
InChIInChI=1S/C15H17N3O2/c19-15-16-9-14(10-17-15)13-3-1-2-12(8-13)11-18-4-6-20-7-5-18/h1-3,8-10H,4-7,11H2,(H,16,17,19)
InChIKeyWOGCXURKNAUTEG-UHFFFAOYSA-N
XLogP1.27
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-(morpholin-4-ylmethyl)phenyl]phenol
CID 39755731
4-[[3-(6-methoxy-2-pyridinyl)phenyl]methyl]morpholine
CID 50962081
[4-[3-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 39226421
4-[(3-quinolin-2-ylphenyl)methyl]morpholine
CID 50980839
4-[[3-(3-methyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,5,7,9,11-pentaen-11-yl)phenyl]methyl]morpholine
CID 58382002
2-[3-(morpholin-4-ylmethyl)phenyl]benzoic acid
CID 39226434
5-[3-(morpholin-4-ylmethyl)phenyl]pyrimidine-2,4-diamine
CID 66637304
[3-[4-(morpholin-4-ylmethyl)phenyl]phenyl]methanamine
CID 10891323
3-[3-(morpholin-4-ylmethyl)phenyl]-1H-indazole-4-carboxylic acid
CID 39219778
4-[3-(morpholin-4-ylmethyl)phenyl]pyridin-3-amine
CID 72852250
6-[3-(morpholin-4-ylmethyl)phenyl]quinazolin-4-amine
CID 72877134
5-[5-[3-(morpholin-4-ylmethyl)phenyl]indazol-1-yl]-1-oxo-1,2-thiazol-3-one
CID 140960539

Frequently Asked Questions

What is the IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one (CID 56857435) is 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one is O=c1ncc(-c2cccc(CN3CCOCC3)c2)c[nH]1.
What is the InChIKey of 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one?
The InChIKey is WOGCXURKNAUTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c19-15-16-9-14(10-17-15)13-3-1-2-12(8-13)11-18-4-6-20-7-5-18/h1-3,8-10H,4-7,11H2,(H,16,17,19).
What are the key properties of 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one?
5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one has a molecular weight of 271.32 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(morpholin-4-ylmethyl)phenyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 56857435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).