5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid

C17H15FN4O3 — CID 176698630

IUPAC5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
InChIInChI=1S/C17H15FN4O3/c1-9-6-19-17(22-8-13(16(23)24)21-15(9)22)20-7-11-10-4-5-25-14(10)3-2-12(11)18/h2-3,6,8H,4-5,7H2,1H3,(H,19,20)(H,23,24)
InChIKeyMHGRDIHDQFEPAQ-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.42
Rot. Bonds4

About 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid

5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 176698630) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID176698630
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
InChIInChI=1S/C17H15FN4O3/c1-9-6-19-17(22-8-13(16(23)24)21-15(9)22)20-7-11-10-4-5-25-14(10)3-2-12(11)18/h2-3,6,8H,4-5,7H2,1H3,(H,19,20)(H,23,24)
InChIKeyMHGRDIHDQFEPAQ-UHFFFAOYSA-N
XLogP2.42
TPSA88.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 176698630) is 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid is Cc1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12.
What is the InChIKey of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is MHGRDIHDQFEPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-9-6-19-17(22-8-13(16(23)24)21-15(9)22)20-7-11-10-4-5-25-14(10)3-2-12(11)18/h2-3,6,8H,4-5,7H2,1H3,(H,19,20)(H,23,24).
What are the key properties of 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid?
5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 342.33 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]-8-methylimidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 176698630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).