5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one

C8H9FN4O3 — CID 143514601

IUPAC5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one
SMILESO=Nc1nc(N2CCOCC2)[nH]c(=O)c1F
InChIInChI=1S/C8H9FN4O3/c9-5-6(12-15)10-8(11-7(5)14)13-1-3-16-4-2-13/h1-4H2,(H,10,11,14)
InChIKeyPNFHMPZZXXOMES-UHFFFAOYSA-N
MW228.18 g/mol
LogP0.14
Rot. Bonds2

About 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one

5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one (PubChem CID 143514601) has the molecular formula C8H9FN4O3 and a molecular weight of 228.18 g/mol. Its IUPAC name is 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one
PubChem CID143514601
Molecular FormulaC8H9FN4O3
Molecular Weight228.18 g/mol
Exact Mass228.07
IUPAC Name5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one
SMILESO=Nc1nc(N2CCOCC2)[nH]c(=O)c1F
InChIInChI=1S/C8H9FN4O3/c9-5-6(12-15)10-8(11-7(5)14)13-1-3-16-4-2-13/h1-4H2,(H,10,11,14)
InChIKeyPNFHMPZZXXOMES-UHFFFAOYSA-N
XLogP0.14
TPSA87.65 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.18
LogP ≤ 50.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Amino-3-methyl-2-(morpholin-4-yl)-5-nitrosopyrimidin-4(3h)-one
CID 91132632
6-Amino-2-(morpholin-4-yl)pyrimidin-4(1H)-one
CID 135587491
5-Fluoro-2-morpholinopyrimidine-4,6-diol
CID 59507764
5-fluoro-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 150847759
6-Amino-2-morpholin-4-yl-5-nitrosopyrimidin-4-ol
CID 136185846
5-fluoro-2-morpholin-4-ylpyrimidin-4(3H)-one
CID 53486779
5-fluoro-4-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
CID 136228904
6-amino-5-mercapto-2-morpholin-4-ylpyrimidin-4(3H)-one
CID 136261168

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one (CID 143514601) is 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one is O=Nc1nc(N2CCOCC2)[nH]c(=O)c1F.
What is the InChIKey of 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one?
The InChIKey is PNFHMPZZXXOMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9FN4O3/c9-5-6(12-15)10-8(11-7(5)14)13-1-3-16-4-2-13/h1-4H2,(H,10,11,14).
What are the key properties of 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one?
5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one has a molecular weight of 228.18 g/mol, XLogP of 0.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-morpholin-4-yl-4-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 143514601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).