(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone

C12H10FN3O2 — CID 112747642

IUPAC(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone
SMILESCOc1ncc(C(=O)c2ccc(N)c(F)c2)cn1
InChIInChI=1S/C12H10FN3O2/c1-18-12-15-5-8(6-16-12)11(17)7-2-3-10(14)9(13)4-7/h2-6H,14H2,1H3
InChIKeyYEJZJQHVRFPMIL-UHFFFAOYSA-N
MW247.23 g/mol
LogP1.44
Rot. Bonds3

About (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone

(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone (PubChem CID 112747642) has the molecular formula C12H10FN3O2 and a molecular weight of 247.23 g/mol. Its IUPAC name is (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone.

Molecular Properties

Compound Name(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone
PubChem CID112747642
Molecular FormulaC12H10FN3O2
Molecular Weight247.23 g/mol
Exact Mass247.08
IUPAC Name(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone
SMILESCOc1ncc(C(=O)c2ccc(N)c(F)c2)cn1
InChIInChI=1S/C12H10FN3O2/c1-18-12-15-5-8(6-16-12)11(17)7-2-3-10(14)9(13)4-7/h2-6H,14H2,1H3
InChIKeyYEJZJQHVRFPMIL-UHFFFAOYSA-N
XLogP1.44
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.23
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(4-amino-3-fluorophenyl)-pyrazin-2-ylmethanone
CID 116547270
(4-amino-3-fluorophenyl)-(2-methoxy-3,4-dimethylphenyl)methanone
CID 103434759
2-methoxyethyl 4-amino-3-fluorobenzoate
CID 62681168
methyl 4-(4-amino-3-fluorophenyl)-4-oxobutanoate
CID 20536405
(4-amino-3-fluorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanone
CID 114667997
(2-amino-6-methoxyphenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 81413829
methyl (2S)-2-[(4-amino-3-fluorobenzoyl)amino]propanoate
CID 55159256
(3,4-difluorophenyl)-(3,4,5-trimethoxyphenyl)methanone
CID 146006227
4-amino-3-fluoro-N-(5-methylpyrazin-2-yl)benzamide
CID 162519877
(4-amino-3-fluorophenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102709294
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
6-amino-5-(3-fluoro-4-methoxybenzoyl)-1H-pyrimidin-2-one
CID 82091108

Frequently Asked Questions

What is the IUPAC name of (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone?
The IUPAC name of (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone (CID 112747642) is (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone.
What is the SMILES notation for (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone?
The canonical SMILES for (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone is COc1ncc(C(=O)c2ccc(N)c(F)c2)cn1.
What is the InChIKey of (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone?
The InChIKey is YEJZJQHVRFPMIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2/c1-18-12-15-5-8(6-16-12)11(17)7-2-3-10(14)9(13)4-7/h2-6H,14H2,1H3.
What are the key properties of (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone?
(4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone has a molecular weight of 247.23 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-3-fluorophenyl)-(2-methoxypyrimidin-5-yl)methanone is sourced from PubChem (CID 112747642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).