2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine

C20H17N5O3 — CID 10177469

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C20H17N5O3/c1-12-9-18(22-19-10-13(24-25-19)14-7-4-8-26-14)23-20(21-12)17-11-27-15-5-2-3-6-16(15)28-17/h2-10,17H,11H2,1H3,(H2,21,22,23,24,25)
InChIKeyOOASCMPFUWBARP-UHFFFAOYSA-N
MW375.39 g/mol
LogP4.02
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine (PubChem CID 10177469) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine
PubChem CID10177469
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine
SMILESCc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(C2COc3ccccc3O2)n1
InChIInChI=1S/C20H17N5O3/c1-12-9-18(22-19-10-13(24-25-19)14-7-4-8-26-14)23-20(21-12)17-11-27-15-5-2-3-6-16(15)28-17/h2-10,17H,11H2,1H3,(H2,21,22,23,24,25)
InChIKeyOOASCMPFUWBARP-UHFFFAOYSA-N
XLogP4.02
TPSA98.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine (CID 10177469) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine is Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(C2COc3ccccc3O2)n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine?
The InChIKey is OOASCMPFUWBARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-12-9-18(22-19-10-13(24-25-19)14-7-4-8-26-14)23-20(21-12)17-11-27-15-5-2-3-6-16(15)28-17/h2-10,17H,11H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine has a molecular weight of 375.39 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 10177469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).