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

C24H21FN6O3 — CID 155788158

IUPAC8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
InChIInChI=1S/C24H21FN6O3/c1-12-15(8-26-21(29-12)13-2-3-13)17-10-28-24(31-11-19(23(32)33)30-22(17)31)27-9-16-14-6-7-34-20(14)5-4-18(16)25/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,27,28)(H,32,33)
InChIKeyYWZARKUVOPOHRP-UHFFFAOYSA-N
MW460.47 g/mol
LogP3.76
Rot. Bonds6

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

8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid (PubChem CID 155788158) has the molecular formula C24H21FN6O3 and a molecular weight of 460.47 g/mol. Its IUPAC name is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid
PubChem CID155788158
Molecular FormulaC24H21FN6O3
Molecular Weight460.47 g/mol
Exact Mass460.17
IUPAC Name8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid
SMILESCc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12
InChIInChI=1S/C24H21FN6O3/c1-12-15(8-26-21(29-12)13-2-3-13)17-10-28-24(31-11-19(23(32)33)30-22(17)31)27-9-16-14-6-7-34-20(14)5-4-18(16)25/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,27,28)(H,32,33)
InChIKeyYWZARKUVOPOHRP-UHFFFAOYSA-N
XLogP3.76
TPSA114.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.47
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The IUPAC name of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid (CID 155788158) is 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The canonical SMILES for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid is Cc1nc(C2CC2)ncc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(C(=O)O)nc12.
What is the InChIKey of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
The InChIKey is YWZARKUVOPOHRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN6O3/c1-12-15(8-26-21(29-12)13-2-3-13)17-10-28-24(31-11-19(23(32)33)30-22(17)31)27-9-16-14-6-7-34-20(14)5-4-18(16)25/h4-5,8,10-11,13H,2-3,6-7,9H2,1H3,(H,27,28)(H,32,33).
What are the key properties of 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid?
8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid has a molecular weight of 460.47 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-cyclopropyl-4-methylpyrimidin-5-yl)-5-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methylamino]imidazo[1,2-c]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 155788158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).