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

C21H19F4N7O — CID 155382873

IUPAC2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
InChIInChI=1S/C21H19F4N7O/c1-31-16(6-18(30-31)21(23,24)25)14-9-28-20(32-10-11(7-26)29-19(14)32)27-8-13-12-4-5-33-17(12)3-2-15(13)22/h2-3,6,9-10H,4-5,7-8,26H2,1H3,(H,27,28)
InChIKeyMRXOKXZLWNWUED-UHFFFAOYSA-N
MW461.42 g/mol
LogP3.29
Rot. Bonds5

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

2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine (PubChem CID 155382873) has the molecular formula C21H19F4N7O and a molecular weight of 461.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine
PubChem CID155382873
Molecular FormulaC21H19F4N7O
Molecular Weight461.42 g/mol
Exact Mass461.16
IUPAC Name2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine
SMILESCn1nc(C(F)(F)F)cc1-c1cnc(NCc2c(F)ccc3c2CCO3)n2cc(CN)nc12
InChIInChI=1S/C21H19F4N7O/c1-31-16(6-18(30-31)21(23,24)25)14-9-28-20(32-10-11(7-26)29-19(14)32)27-8-13-12-4-5-33-17(12)3-2-15(13)22/h2-3,6,9-10H,4-5,7-8,26H2,1H3,(H,27,28)
InChIKeyMRXOKXZLWNWUED-UHFFFAOYSA-N
XLogP3.29
TPSA95.29 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.42
LogP ≤ 53.29
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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine (CID 155382873) is 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine is Cn1nc(C(F)(F)F)cc1-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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine?
The InChIKey is MRXOKXZLWNWUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F4N7O/c1-31-16(6-18(30-31)21(23,24)25)14-9-28-20(32-10-11(7-26)29-19(14)32)27-8-13-12-4-5-33-17(12)3-2-15(13)22/h2-3,6,9-10H,4-5,7-8,26H2,1H3,(H,27,28).
What are the key properties of 2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine?
2-(aminomethyl)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-4-yl)methyl]-8-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine has a molecular weight of 461.42 g/mol, XLogP of 3.29, 5 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-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]imidazo[1,2-c]pyrimidin-5-amine is sourced from PubChem (CID 155382873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).