2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine

C24H24FN5O3S — CID 155369215

IUPAC2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
InChIInChI=1S/C24H24FN5O3S/c1-14-9-16(34(2,31)32)3-4-17(14)20-12-28-24(30-13-15(10-26)29-23(20)30)27-11-19-18-7-8-33-22(18)6-5-21(19)25/h3-6,9,12-13H,7-8,10-11,26H2,1-2H3,(H,27,28)
InChIKeyUWEUYVUVIHWCSI-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.25
Rot. Bonds6

About 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine

2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155369215) has the molecular formula C24H24FN5O3S and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369215
Molecular FormulaC24H24FN5O3S
Molecular Weight481.55 g/mol
Exact Mass481.16
IUPAC Name2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
InChIInChI=1S/C24H24FN5O3S/c1-14-9-16(34(2,31)32)3-4-17(14)20-12-28-24(30-13-15(10-26)29-23(20)30)27-11-19-18-7-8-33-22(18)6-5-21(19)25/h3-6,9,12-13H,7-8,10-11,26H2,1-2H3,(H,27,28)
InChIKeyUWEUYVUVIHWCSI-UHFFFAOYSA-N
XLogP3.25
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 155369215) is 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine is Cc1cc(S(C)(=O)=O)ccc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12.
What is the InChIKey of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is UWEUYVUVIHWCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O3S/c1-14-9-16(34(2,31)32)3-4-17(14)20-12-28-24(30-13-15(10-26)29-23(20)30)27-11-19-18-7-8-33-22(18)6-5-21(19)25/h3-6,9,12-13H,7-8,10-11,26H2,1-2H3,(H,27,28).
What are the key properties of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 481.55 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155369215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).