2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine

C17H19N3O — CID 114747205

IUPAC2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc3c2OCC3)nc(C2CC2)n1
InChIInChI=1S/C17H19N3O/c1-2-18-15-10-14(19-17(20-15)12-6-7-12)13-5-3-4-11-8-9-21-16(11)13/h3-5,10,12H,2,6-9H2,1H3,(H,18,19,20)
InChIKeyZWTXDSABQIHXLT-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.39
Rot. Bonds4

About 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine

2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine (PubChem CID 114747205) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
PubChem CID114747205
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
SMILESCCNc1cc(-c2cccc3c2OCC3)nc(C2CC2)n1
InChIInChI=1S/C17H19N3O/c1-2-18-15-10-14(19-17(20-15)12-6-7-12)13-5-3-4-11-8-9-21-16(11)13/h3-5,10,12H,2,6-9H2,1H3,(H,18,19,20)
InChIKeyZWTXDSABQIHXLT-UHFFFAOYSA-N
XLogP3.39
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
CID 114747290
6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrazin-2-amine
CID 114747256
2-cyclopropyl-6-(2-ethoxyphenyl)-N-ethylpyrimidin-4-amine
CID 80949016
2-cyclopropyl-6-(2,5-difluorophenyl)-N-ethylpyrimidin-4-amine
CID 80952411
6-(3-chlorophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952474
2-cyclopropyl-6-(2,3-dimethylphenyl)-N-propylpyrimidin-4-amine
CID 80949383
2-cyclopropyl-6-(2,3-dichlorophenyl)-N-propylpyrimidin-4-amine
CID 80949471
6-(4-bromophenyl)-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80952338
2-cyclopropyl-6-(2-fluorophenyl)-N-propylpyrimidin-4-amine
CID 80952552
6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 114747223
2-cyclopropyl-6-N-ethyl-4-N-(2-methylbutan-2-yl)pyrimidine-4,6-diamine
CID 80955815
[2-(2,3-dihydro-1-benzofuran-7-yl)-4-pyridinyl]hydrazine
CID 102825373

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine (CID 114747205) is 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine is CCNc1cc(-c2cccc3c2OCC3)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine?
The InChIKey is ZWTXDSABQIHXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-2-18-15-10-14(19-17(20-15)12-6-7-12)13-5-3-4-11-8-9-21-16(11)13/h3-5,10,12H,2,6-9H2,1H3,(H,18,19,20).
What are the key properties of 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine?
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine is sourced from PubChem (CID 114747205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).