8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

C21H20FN5OS — CID 157049999

IUPAC8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3nc(C)sc3C)c2n1
InChIInChI=1S/C21H20FN5OS/c1-11-10-27-20(25-11)16(19-12(2)29-13(3)26-19)9-24-21(27)23-8-15-14-6-7-28-18(14)5-4-17(15)22/h4-5,9-10H,6-8H2,1-3H3,(H,23,24)
InChIKeyGUYURHAUWYTDMD-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.46
Rot. Bonds4

About 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine

8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (PubChem CID 157049999) has the molecular formula C21H20FN5OS and a molecular weight of 409.49 g/mol. Its IUPAC name is 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
PubChem CID157049999
Molecular FormulaC21H20FN5OS
Molecular Weight409.49 g/mol
Exact Mass409.14
IUPAC Name8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine
SMILESCc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3nc(C)sc3C)c2n1
InChIInChI=1S/C21H20FN5OS/c1-11-10-27-20(25-11)16(19-12(2)29-13(3)26-19)9-24-21(27)23-8-15-14-6-7-28-18(14)5-4-17(15)22/h4-5,9-10H,6-8H2,1-3H3,(H,23,24)
InChIKeyGUYURHAUWYTDMD-UHFFFAOYSA-N
XLogP4.46
TPSA64.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

8-(4-((Dimethylamino)methyl)-2-methylphenyl)-5-(((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)amino)imidazo[1,2-c]pyrimidine-2-carbonitrile
CID 155788096
8-(2,6-dimethyl-3-pyridinyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 146681125
8-(6-cyclopropylpyridin-3-yl)-N-((5-fluoro-2,3-dihydrobenzofuran-4-yl)methyl)-1-(methylsulfonyl)imidazo[1,5-c]pyrimidin-5-amine
CID 146681126
US10676479, Example 100
CID 139346201
US10676479, Example 10
CID 139346214
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-phenylimidazo[1,5-c]pyrimidin-5-amine
CID 155580147
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(1-methylpyrazol-4-yl)-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 155580148
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156011318
8-[6-(difluoromethyl)-3-pyridinyl]-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156012299
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-(6-methylsulfonyl-3-pyridinyl)imidazo[1,5-c]pyrimidin-5-amine
CID 156015361
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-(4-fluorophenyl)-1-methylsulfonylimidazo[1,5-c]pyrimidin-5-amine
CID 156017802
N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-1-methylsulfonyl-8-[2-methyl-6-(trifluoromethyl)-3-pyridinyl]imidazo[1,5-c]pyrimidin-5-amine
CID 156017861

Frequently Asked Questions

What is the IUPAC name of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The IUPAC name of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine (CID 157049999) is 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine.
What is the SMILES notation for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The canonical SMILES for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is Cc1cn2c(NCc3c(F)ccc4c3CCO4)ncc(-c3nc(C)sc3C)c2n1.
What is the InChIKey of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is GUYURHAUWYTDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5OS/c1-11-10-27-20(25-11)16(19-12(2)29-13(3)26-19)9-24-21(27)23-8-15-14-6-7-28-18(14)5-4-17(15)22/h4-5,9-10H,6-8H2,1-3H3,(H,23,24).
What are the key properties of 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine?
8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 409.49 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2,5-dimethyl-1,3-thiazol-4-yl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-2-methylimidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 157049999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).