4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one

C16H17F2N3O3 — CID 136568820

IUPAC4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCOC(c3ccc(F)c(F)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H17F2N3O3/c1-23-9-14-19-15(7-16(22)20-14)21-4-5-24-13(8-21)10-2-3-11(17)12(18)6-10/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,19,20,22)
InChIKeyKPSPIBSSVRHFSK-UHFFFAOYSA-N
MW337.33 g/mol
LogP1.77
Rot. Bonds4

About 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one

4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 136568820) has the molecular formula C16H17F2N3O3 and a molecular weight of 337.33 g/mol. Its IUPAC name is 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID136568820
Molecular FormulaC16H17F2N3O3
Molecular Weight337.33 g/mol
Exact Mass337.12
IUPAC Name4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCOC(c3ccc(F)c(F)c3)C2)cc(=O)[nH]1
InChIInChI=1S/C16H17F2N3O3/c1-23-9-14-19-15(7-16(22)20-14)21-4-5-24-13(8-21)10-2-3-11(17)12(18)6-10/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,19,20,22)
InChIKeyKPSPIBSSVRHFSK-UHFFFAOYSA-N
XLogP1.77
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.33
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 136568820) is 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(N2CCOC(c3ccc(F)c(F)c3)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is KPSPIBSSVRHFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O3/c1-23-9-14-19-15(7-16(22)20-14)21-4-5-24-13(8-21)10-2-3-11(17)12(18)6-10/h2-3,6-7,13H,4-5,8-9H2,1H3,(H,19,20,22).
What are the key properties of 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 337.33 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-difluorophenyl)morpholin-4-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136568820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).