2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine

C14H15N3O2 — CID 115349486

IUPAC2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine
SMILESCOc1cc2c(cc1-c1ncc(N)cn1)OC(C)C2
InChIInChI=1S/C14H15N3O2/c1-8-3-9-4-13(18-2)11(5-12(9)19-8)14-16-6-10(15)7-17-14/h4-8H,3,15H2,1-2H3
InChIKeyRYDINWZIDATUPU-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.06
Rot. Bonds2

About 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine

2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine (PubChem CID 115349486) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine
PubChem CID115349486
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine
SMILESCOc1cc2c(cc1-c1ncc(N)cn1)OC(C)C2
InChIInChI=1S/C14H15N3O2/c1-8-3-9-4-13(18-2)11(5-12(9)19-8)14-16-6-10(15)7-17-14/h4-8H,3,15H2,1-2H3
InChIKeyRYDINWZIDATUPU-UHFFFAOYSA-N
XLogP2.06
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4,6-dichloro-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-5-methylpyrimidine
CID 115349516
3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2,4-thiadiazol-5-amine
CID 113291877
5-iodo-2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-N-methylpyrimidin-4-amine
CID 115349615
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349578
2-ethyl-5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-methylimidazol-4-amine
CID 115349587
[3-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,2-oxazol-5-yl]methanol
CID 115349668
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-3-prop-2-enylimidazol-4-amine
CID 115349585
methyl 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-5-carboxylate
CID 115349493
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)ethanamine
CID 3951670
5-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-4,5-dihydro-1H-imidazol-2-amine
CID 113291957
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1,3-thiazole-4-carboxylic acid
CID 115349479
4-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)-1H-pyrrole-3-carboxylic acid
CID 115349494

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine?
The IUPAC name of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine (CID 115349486) is 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine.
What is the SMILES notation for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine?
The canonical SMILES for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine is COc1cc2c(cc1-c1ncc(N)cn1)OC(C)C2.
What is the InChIKey of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine?
The InChIKey is RYDINWZIDATUPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-8-3-9-4-13(18-2)11(5-12(9)19-8)14-16-6-10(15)7-17-14/h4-8H,3,15H2,1-2H3.
What are the key properties of 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine?
2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine has a molecular weight of 257.29 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-2-methyl-2,3-dihydro-1-benzofuran-6-yl)pyrimidin-5-amine is sourced from PubChem (CID 115349486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).