4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine

C15H12Cl2N4O — CID 118587697

IUPAC4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
SMILESCn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21
InChIInChI=1S/C15H12Cl2N4O/c1-21-4-2-10-13(21)12(20-15(18)19-10)11-7-3-5-22-14(7)9(17)6-8(11)16/h2,4,6H,3,5H2,1H3,(H2,18,19,20)
InChIKeyDNXLBFIALOJDTL-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.46
Rot. Bonds1

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 118587697) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID118587697
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine
SMILESCn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21
InChIInChI=1S/C15H12Cl2N4O/c1-21-4-2-10-13(21)12(20-15(18)19-10)11-7-3-5-22-14(7)9(17)6-8(11)16/h2,4,6H,3,5H2,1H3,(H2,18,19,20)
InChIKeyDNXLBFIALOJDTL-UHFFFAOYSA-N
XLogP3.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine (CID 118587697) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine is Cn1ccc2nc(N)nc(-c3c(Cl)cc(Cl)c4c3CCO4)c21.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is DNXLBFIALOJDTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-21-4-2-10-13(21)12(20-15(18)19-10)11-7-3-5-22-14(7)9(17)6-8(11)16/h2,4,6H,3,5H2,1H3,(H2,18,19,20).
What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine?
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 335.19 g/mol, XLogP of 3.46, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5-methylpyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 118587697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).