2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine — IUPAC name, SMILES, InChIKey & properties

Name: 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (PubChem CID 160699181) has the molecular formula C74H70N20O5 and a molecular weight of 1319.51 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name	2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
PubChem CID	160699181
Molecular Formula	C74H70N20O5
Molecular Weight	1319.51 g/mol
Exact Mass	1318.58
IUPAC Name	2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine
SMILES	CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.CCc1cc(Nc2cc(C)[nH]n2)nc(C2COc3ccccc3O2)n1.Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(C2COc3ccccc3O2)n1
InChI	InChI=1S/C20H17N5O3.C20H17N5.C18H19N5O2.C16H17N5/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;1-14-12-18(23-20(21-14)16-10-6-3-7-11-16)22-19-13-17(24-25-19)15-8-4-2-5-9-15;1-3-12-9-16(20-17-8-11(2)22-23-17)21-18(19-12)15-10-24-13-6-4-5-7-14(13)25-15;1-3-13-10-14(18-15-9-11(2)20-21-15)19-16(17-13)12-7-5-4-6-8-12/h2-10,17H,11H2,1H3,(H2,21,22,23,24,25);2-13H,1H3,(H2,21,22,23,24,25);4-9,15H,3,10H2,1-2H3,(H2,19,20,21,22,23);4-10H,3H2,1-2H3,(H2,17,18,19,20,21)
InChIKey	RQJUDQHKCRGSQA-UHFFFAOYSA-N
XLogP	15.42
TPSA	316.02 Å²
H-Bond Donors	8
H-Bond Acceptors	21
Rotatable Bonds	16
Heavy Atoms	99
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1319.51
LogP ≤ 5	15.42
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	21

Analyze 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine (CID 160699181) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine.

What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is CCc1cc(Nc2cc(C)[nH]n2)nc(-c2ccccc2)n1.CCc1cc(Nc2cc(C)[nH]n2)nc(C2COc3ccccc3O2)n1.Cc1cc(Nc2cc(-c3ccccc3)[nH]n2)nc(-c2ccccc2)n1.Cc1cc(Nc2cc(-c3ccco3)[nH]n2)nc(C2COc3ccccc3O2)n1.

What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

The InChIKey is RQJUDQHKCRGSQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3.C20H17N5.C18H19N5O2.C16H17N5/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;1-14-12-18(23-20(21-14)16-10-6-3-7-11-16)22-19-13-17(24-25-19)15-8-4-2-5-9-15;1-3-12-9-16(20-17-8-11(2)22-23-17)21-18(19-12)15-10-24-13-6-4-5-7-14(13)25-15;1-3-13-10-14(18-15-9-11(2)20-21-15)19-16(17-13)12-7-5-4-6-8-12/h2-10,17H,11H2,1H3,(H2,21,22,23,24,25);2-13H,1H3,(H2,21,22,23,24,25);4-9,15H,3,10H2,1-2H3,(H2,19,20,21,22,23);4-10H,3H2,1-2H3,(H2,17,18,19,20,21).

What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine?

Where does this data come from?

All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine;2-(2,3-dihydro-1,4-benzodioxin-3-yl)-N-[5-(furan-2-yl)-1H-pyrazol-3-yl]-6-methylpyrimidin-4-amine;6-ethyl-N-(5-methyl-1H-pyrazol-3-yl)-2-phenylpyrimidin-4-amine;6-methyl-2-phenyl-N-(5-phenyl-1H-pyrazol-3-yl)pyrimidin-4-amine is sourced from PubChem (CID 160699181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).