(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone

C13H12FN3O3 — CID 67350239

IUPAC(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
SMILESCOc1cc(OC)nc(C(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C13H12FN3O3/c1-19-9-6-10(20-2)17-13(16-9)12(18)7-4-3-5-8(14)11(7)15/h3-6H,15H2,1-2H3
InChIKeyRZUQHGOQFAUWSA-UHFFFAOYSA-N
MW277.26 g/mol
LogP1.45
Rot. Bonds4

About (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone

(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone (PubChem CID 67350239) has the molecular formula C13H12FN3O3 and a molecular weight of 277.26 g/mol. Its IUPAC name is (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone.

Molecular Properties

Compound Name(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
PubChem CID67350239
Molecular FormulaC13H12FN3O3
Molecular Weight277.26 g/mol
Exact Mass277.09
IUPAC Name(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
SMILESCOc1cc(OC)nc(C(=O)c2cccc(F)c2N)n1
InChIInChI=1S/C13H12FN3O3/c1-19-9-6-10(20-2)17-13(16-9)12(18)7-4-3-5-8(14)11(7)15/h3-6H,15H2,1-2H3
InChIKeyRZUQHGOQFAUWSA-UHFFFAOYSA-N
XLogP1.45
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-[2-chloro-6-(4,6-dimethoxypyrimidine-2-carbonyl)phenyl]acetamide
CID 67133377
[2-amino-3-(methoxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanol;[2-amino-3-(methoxymethyl)phenyl]-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 158780902
(4,6-dimethoxypyrimidin-2-yl)-(3-ethyl-2-nitrophenyl)methanone
CID 18417992
(2-amino-3-fluorophenyl)-(1-methylpyrazol-3-yl)methanone
CID 103133443
(4-chlorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone
CID 708347
3-(4,6-dimethoxypyrimidine-2-carbonyl)-N,N-dimethylpyridine-2-carboxamide
CID 18462479
(2-amino-3-fluorophenyl)-pyrimidin-5-ylmethanone
CID 116597591
(2-amino-3-fluorophenyl)-(4-hydroxyphenyl)methanone
CID 105489005
(2-amino-3-fluorophenyl)-(3-ethoxyphenyl)methanone
CID 116597765
(2-amino-3-fluorophenyl)-(3-chlorophenyl)methanone
CID 90087855
(2-amino-3-fluorophenyl)-(2-propan-2-yloxyphenyl)methanone
CID 116597562
2-amino-3-fluoro-N-(3-fluoro-4-methoxyphenyl)benzamide
CID 62661511

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
The IUPAC name of (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone (CID 67350239) is (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone.
What is the SMILES notation for (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
The canonical SMILES for (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone is COc1cc(OC)nc(C(=O)c2cccc(F)c2N)n1.
What is the InChIKey of (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
The InChIKey is RZUQHGOQFAUWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FN3O3/c1-19-9-6-10(20-2)17-13(16-9)12(18)7-4-3-5-8(14)11(7)15/h3-6H,15H2,1-2H3.
What are the key properties of (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone?
(2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone has a molecular weight of 277.26 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-fluorophenyl)-(4,6-dimethoxypyrimidin-2-yl)methanone is sourced from PubChem (CID 67350239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).