5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine

C17H13FN4O — CID 130426836

IUPAC5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine
SMILES[H]/N=C(/c1ccc(Oc2ccccc2)cc1F)c1cncnc1N
InChIInChI=1S/C17H13FN4O/c18-15-8-12(23-11-4-2-1-3-5-11)6-7-13(15)16(19)14-9-21-10-22-17(14)20/h1-10,19H,(H2,20,21,22)/b19-16-
InChIKeyQMAXHCCNACDBQC-MNDPQUGUSA-N
MW308.32 g/mol
LogP3.41
Rot. Bonds4

About 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine

5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine (PubChem CID 130426836) has the molecular formula C17H13FN4O and a molecular weight of 308.32 g/mol. Its IUPAC name is 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine
PubChem CID130426836
Molecular FormulaC17H13FN4O
Molecular Weight308.32 g/mol
Exact Mass308.11
IUPAC Name5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine
SMILES[H]/N=C(/c1ccc(Oc2ccccc2)cc1F)c1cncnc1N
InChIInChI=1S/C17H13FN4O/c18-15-8-12(23-11-4-2-1-3-5-11)6-7-13(15)16(19)14-9-21-10-22-17(14)20/h1-10,19H,(H2,20,21,22)/b19-16-
InChIKeyQMAXHCCNACDBQC-MNDPQUGUSA-N
XLogP3.41
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-5-(4-phenoxybenzenecarboximidoyl)pyridin-4-amine
CID 130426999
N-(1-buta-1,3-dien-2-ylpiperidin-3-yl)-5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine
CID 145368670
1-[2-[[[5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]methyl]-2-methylpyrrolidin-1-yl]prop-2-en-1-one
CID 130426895
5-(2-fluoro-4-phenoxybenzenecarboximidoyl)-4-N-[1-(1-propan-2-ylpiperidin-4-yl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 156857427
2-[4-[4-[[6-amino-5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-yl]amino]cyclohexyl]piperazin-1-yl]ethanol
CID 156857285
5-[4-(3-fluorophenoxy)phenyl]pyrimidin-4-amine
CID 175815452
5-[4-(3-methoxyphenoxy)benzenecarboximidoyl]pyrimidine-4,6-diamine
CID 145184725
5-(2-fluoro-4-phenoxybenzenecarboximidoyl)-4-N-methylpyrimidine-4,6-diamine;(E)-4-(2-methoxyethylamino)-4-methyl-2-(pyrrolidine-1-carbonyl)pent-2-enenitrile
CID 144566224
2-chloro-4-phenoxybenzenecarboximidamide
CID 62947206
4-(5-chloropyrimidin-4-yl)oxy-2-fluorobenzoic acid
CID 107677397
2-fluoro-4-pyrimidin-4-yloxybenzoic acid
CID 107677489
5-(2-fluoro-4-phenoxyphenyl)-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 141348837

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine?
The IUPAC name of 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine (CID 130426836) is 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine?
The canonical SMILES for 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine is [H]/N=C(/c1ccc(Oc2ccccc2)cc1F)c1cncnc1N.
What is the InChIKey of 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine?
The InChIKey is QMAXHCCNACDBQC-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H13FN4O/c18-15-8-12(23-11-4-2-1-3-5-11)6-7-13(15)16(19)14-9-21-10-22-17(14)20/h1-10,19H,(H2,20,21,22)/b19-16-.
What are the key properties of 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine?
5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine has a molecular weight of 308.32 g/mol, XLogP of 3.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-phenoxybenzenecarboximidoyl)pyrimidin-4-amine is sourced from PubChem (CID 130426836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).