5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine

C21H15Cl2FN4O2 — CID 58402617

IUPAC5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cnc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1Cl
InChIInChI=1S/C21H15Cl2FN4O2/c1-11-10-25-21-27-18(17-13(22)3-2-4-14(17)24)20(28(21)19(11)23)26-12-5-6-15-16(9-12)30-8-7-29-15/h2-6,9-10,26H,7-8H2,1H3
InChIKeyJCZJGWMUQZAENP-UHFFFAOYSA-N
MW445.28 g/mol
LogP5.67
Rot. Bonds3

About 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine

5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine (PubChem CID 58402617) has the molecular formula C21H15Cl2FN4O2 and a molecular weight of 445.28 g/mol. Its IUPAC name is 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine.

Molecular Properties

Compound Name5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine
PubChem CID58402617
Molecular FormulaC21H15Cl2FN4O2
Molecular Weight445.28 g/mol
Exact Mass444.06
IUPAC Name5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine
SMILESCc1cnc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1Cl
InChIInChI=1S/C21H15Cl2FN4O2/c1-11-10-25-21-27-18(17-13(22)3-2-4-14(17)24)20(28(21)19(11)23)26-12-5-6-15-16(9-12)30-8-7-29-15/h2-6,9-10,26H,7-8H2,1H3
InChIKeyJCZJGWMUQZAENP-UHFFFAOYSA-N
XLogP5.67
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.28
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 5329035
CID 5329035
CID 4913175
CID 4913175
CID 5329018
CID 5329018
CID 5329024
CID 5329024
CID 5329025
CID 5329025
CID 5329026
CID 5329026
CID 5329037
CID 5329037
CID 5329038
CID 5329038
CID 5329041
CID 5329041
CID 5329052
CID 5329052
CID 5329055
CID 5329055
CID 5330186
CID 5330186

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine?
The IUPAC name of 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine (CID 58402617) is 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine.
What is the SMILES notation for 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine?
The canonical SMILES for 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine is Cc1cnc2nc(-c3c(F)cccc3Cl)c(Nc3ccc4c(c3)OCCO4)n2c1Cl.
What is the InChIKey of 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine?
The InChIKey is JCZJGWMUQZAENP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2FN4O2/c1-11-10-25-21-27-18(17-13(22)3-2-4-14(17)24)20(28(21)19(11)23)26-12-5-6-15-16(9-12)30-8-7-29-15/h2-6,9-10,26H,7-8H2,1H3.
What are the key properties of 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine?
5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine has a molecular weight of 445.28 g/mol, XLogP of 5.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(2-chloro-6-fluorophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-methylimidazo[1,2-a]pyrimidin-3-amine is sourced from PubChem (CID 58402617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).