4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one

C5H6FN3O2 — CID 136935015

IUPAC4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)c(F)c(=O)[nH]1
InChIInChI=1S/C5H6FN3O2/c1-11-5-8-3(7)2(6)4(10)9-5/h1H3,(H3,7,8,9,10)
InChIKeyOKEFHFCTWHNSFT-UHFFFAOYSA-N
MW159.12 g/mol
LogP-0.50
Rot. Bonds1

About 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one

4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one (PubChem CID 136935015) has the molecular formula C5H6FN3O2 and a molecular weight of 159.12 g/mol. Its IUPAC name is 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one
PubChem CID136935015
Molecular FormulaC5H6FN3O2
Molecular Weight159.12 g/mol
Exact Mass159.04
IUPAC Name4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one
SMILESCOc1nc(N)c(F)c(=O)[nH]1
InChIInChI=1S/C5H6FN3O2/c1-11-5-8-3(7)2(6)4(10)9-5/h1H3,(H3,7,8,9,10)
InChIKeyOKEFHFCTWHNSFT-UHFFFAOYSA-N
XLogP-0.50
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.12
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-Fluoro-2-methoxy-4(3H)-pyrimidinone
CID 352550
6-Amino-2-methoxy-3,4-dihydropyrimidin-4-one
CID 135404214
5-Fluoro-2-methoxy-6-methylpyrimidin-4(1H)-one
CID 135490606
4-fluoro-2-methoxy-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 178643328
5-fluoro-2,4-dimethoxy-1H-pyrimidin-6-one
CID 175046934
CID 136471705
CID 136471705
sodium;5-fluoro-2-methoxy-1H-pyrimidin-6-one;hydride
CID 173832683

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one (CID 136935015) is 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one is COc1nc(N)c(F)c(=O)[nH]1.
What is the InChIKey of 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
The InChIKey is OKEFHFCTWHNSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6FN3O2/c1-11-5-8-3(7)2(6)4(10)9-5/h1H3,(H3,7,8,9,10).
What are the key properties of 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one?
4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one has a molecular weight of 159.12 g/mol, XLogP of -0.50, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-fluoro-2-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136935015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).