2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine

C17H20N4O2 — CID 75504801

IUPAC2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine
SMILESCOc1ccc2oc(C(C)NCc3nccc(N)n3)c(C)c2c1
InChIInChI=1S/C17H20N4O2/c1-10-13-8-12(22-3)4-5-14(13)23-17(10)11(2)20-9-16-19-7-6-15(18)21-16/h4-8,11,20H,9H2,1-3H3,(H2,18,19,21)
InChIKeySCVVDCDGWRSTBM-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.97
Rot. Bonds5

About 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine

2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine (PubChem CID 75504801) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine
PubChem CID75504801
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine
SMILESCOc1ccc2oc(C(C)NCc3nccc(N)n3)c(C)c2c1
InChIInChI=1S/C17H20N4O2/c1-10-13-8-12(22-3)4-5-14(13)23-17(10)11(2)20-9-16-19-7-6-15(18)21-16/h4-8,11,20H,9H2,1-3H3,(H2,18,19,21)
InChIKeySCVVDCDGWRSTBM-UHFFFAOYSA-N
XLogP2.97
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine?
The IUPAC name of 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine (CID 75504801) is 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine is COc1ccc2oc(C(C)NCc3nccc(N)n3)c(C)c2c1.
What is the InChIKey of 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine?
The InChIKey is SCVVDCDGWRSTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-10-13-8-12(22-3)4-5-14(13)23-17(10)11(2)20-9-16-19-7-6-15(18)21-16/h4-8,11,20H,9H2,1-3H3,(H2,18,19,21).
What are the key properties of 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine?
2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine has a molecular weight of 312.37 g/mol, XLogP of 2.97, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(5-methoxy-3-methyl-1-benzofuran-2-yl)ethylamino]methyl]pyrimidin-4-amine is sourced from PubChem (CID 75504801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).