5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine

C15H15N3O2 — CID 114734578

IUPAC5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2cc3cc(C)ccc3o2)c1OC
InChIInChI=1S/C15H15N3O2/c1-9-4-5-11-10(6-9)7-12(20-11)13-14(19-3)15(16-2)18-8-17-13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyWBLWLMGIYPUCSJ-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.25
Rot. Bonds3

About 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine

5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (PubChem CID 114734578) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
PubChem CID114734578
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine
SMILESCNc1ncnc(-c2cc3cc(C)ccc3o2)c1OC
InChIInChI=1S/C15H15N3O2/c1-9-4-5-11-10(6-9)7-12(20-11)13-14(19-3)15(16-2)18-8-17-13/h4-8H,1-3H3,(H,16,17,18)
InChIKeyWBLWLMGIYPUCSJ-UHFFFAOYSA-N
XLogP3.25
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The IUPAC name of 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine (CID 114734578) is 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The canonical SMILES for 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is CNc1ncnc(-c2cc3cc(C)ccc3o2)c1OC.
What is the InChIKey of 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
The InChIKey is WBLWLMGIYPUCSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-9-4-5-11-10(6-9)7-12(20-11)13-14(19-3)15(16-2)18-8-17-13/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine?
5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine has a molecular weight of 269.30 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-N-methyl-6-(5-methyl-1-benzofuran-2-yl)pyrimidin-4-amine is sourced from PubChem (CID 114734578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).