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

C25H26FN5O3S — CID 155369236

IUPAC2-(1-aminoethyl)-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(C(C)N)nc12
InChIInChI=1S/C25H26FN5O3S/c1-14-10-16(35(3,32)33)4-5-17(14)20-12-29-25(31-13-22(15(2)27)30-24(20)31)28-11-19-18-8-9-34-23(18)7-6-21(19)26/h4-7,10,12-13,15H,8-9,11,27H2,1-3H3,(H,28,29)
InChIKeyMYZIPYGLTAKQIH-UHFFFAOYSA-N
MW495.58 g/mol
LogP3.81
Rot. Bonds6

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

2-(1-aminoethyl)-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 155369236) has the molecular formula C25H26FN5O3S and a molecular weight of 495.58 g/mol. Its IUPAC name is 2-(1-aminoethyl)-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-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155369236
Molecular FormulaC25H26FN5O3S
Molecular Weight495.58 g/mol
Exact Mass495.17
IUPAC Name2-(1-aminoethyl)-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(C(C)N)nc12
InChIInChI=1S/C25H26FN5O3S/c1-14-10-16(35(3,32)33)4-5-17(14)20-12-29-25(31-13-22(15(2)27)30-24(20)31)28-11-19-18-8-9-34-23(18)7-6-21(19)26/h4-7,10,12-13,15H,8-9,11,27H2,1-3H3,(H,28,29)
InChIKeyMYZIPYGLTAKQIH-UHFFFAOYSA-N
XLogP3.81
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.58
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-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-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine (CID 155369236) is 2-(1-aminoethyl)-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-(1-aminoethyl)-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-(1-aminoethyl)-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(C(C)N)nc12.
What is the InChIKey of 2-(1-aminoethyl)-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 MYZIPYGLTAKQIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26FN5O3S/c1-14-10-16(35(3,32)33)4-5-17(14)20-12-29-25(31-13-22(15(2)27)30-24(20)31)28-11-19-18-8-9-34-23(18)7-6-21(19)26/h4-7,10,12-13,15H,8-9,11,27H2,1-3H3,(H,28,29).
What are the key properties of 2-(1-aminoethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(2-methyl-4-methylsulfonylphenyl)imidazo[1,2-c]pyrimidin-5-amine?
2-(1-aminoethyl)-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 495.58 g/mol, XLogP of 3.81, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-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 155369236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).