4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one

C13H13FN4O3 — CID 135967800

IUPAC4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
SMILESCCCOc1ccc(F)cc1-c1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C13H13FN4O3/c1-2-5-21-9-4-3-7(14)6-8(9)12-16-11(15)10(18-20)13(19)17-12/h3-4,6H,2,5H2,1H3,(H3,15,16,17,19)
InChIKeyFJXASEFFANPXNN-UHFFFAOYSA-N
MW292.27 g/mol
LogP2.34
Rot. Bonds5

About 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one

4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135967800) has the molecular formula C13H13FN4O3 and a molecular weight of 292.27 g/mol. Its IUPAC name is 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135967800
Molecular FormulaC13H13FN4O3
Molecular Weight292.27 g/mol
Exact Mass292.10
IUPAC Name4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
SMILESCCCOc1ccc(F)cc1-c1nc(N)c(N=O)c(=O)[nH]1
InChIInChI=1S/C13H13FN4O3/c1-2-5-21-9-4-3-7(14)6-8(9)12-16-11(15)10(18-20)13(19)17-12/h3-4,6H,2,5H2,1H3,(H3,15,16,17,19)
InChIKeyFJXASEFFANPXNN-UHFFFAOYSA-N
XLogP2.34
TPSA110.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-2-(5-tert-butyl-2-methoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778104
4-amino-2-(2,4-dimethoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778061
4-amino-2-(3-hexoxyphenyl)-5-nitroso-1H-pyrimidin-6-one
CID 152778090
2-(2-ethoxy-5-fluorophenyl)-3H-quinazolin-4-one
CID 168551059
2-(5-amino-2-propoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
CID 139672525
3-(7-oxo-2,6-dihydrotriazolo[4,5-d]pyrimidin-5-yl)-4-propoxybenzenesulfonamide
CID 135507452
2-(2-propoxyphenyl)-3H-pteridin-4-one
CID 135670793
5-fluoro-2-propoxybenzenecarbothioamide
CID 63673082
6-(2-propoxyphenyl)-1,5-dihydropyrazolo[5,4-d]pyrimidin-4-one
CID 135456702
4-amino-2-(2-bromo-4-fluorophenyl)-5-methyl-1H-pyrimidin-6-one
CID 137004922
3-[3-(5-fluoro-2-propoxyphenyl)phenyl]-1H-1,2,4-triazole-5-carboxamide
CID 11416515
6-(2-propoxyphenyl)-7H-pyrimido[5,4-d]pyrimidin-8-one
CID 135559157

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one (CID 135967800) is 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one is CCCOc1ccc(F)cc1-c1nc(N)c(N=O)c(=O)[nH]1.
What is the InChIKey of 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is FJXASEFFANPXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN4O3/c1-2-5-21-9-4-3-7(14)6-8(9)12-16-11(15)10(18-20)13(19)17-12/h3-4,6H,2,5H2,1H3,(H3,15,16,17,19).
What are the key properties of 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one?
4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 292.27 g/mol, XLogP of 2.34, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(5-fluoro-2-propoxyphenyl)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135967800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).