6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine

C17H21N3O — CID 114747264

IUPAC6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cccc3c2OCC3)c1CC
InChIInChI=1S/C17H21N3O/c1-3-9-18-17-13(4-2)15(19-11-20-17)14-7-5-6-12-8-10-21-16(12)14/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,19,20)
InChIKeyZMPZWWIOFCMJMF-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.46
Rot. Bonds5

About 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine

6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine (PubChem CID 114747264) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
PubChem CID114747264
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1ncnc(-c2cccc3c2OCC3)c1CC
InChIInChI=1S/C17H21N3O/c1-3-9-18-17-13(4-2)15(19-11-20-17)14-7-5-6-12-8-10-21-16(12)14/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,19,20)
InChIKeyZMPZWWIOFCMJMF-UHFFFAOYSA-N
XLogP3.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.46
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
6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114747278
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methoxypyrimidine
CID 114747133
6-(3-bromo-2-fluorophenyl)-N,5-dipropylpyrimidin-4-amine
CID 106646745
6-(3-bromo-2-fluorophenyl)-N,5-diethylpyrimidin-4-amine
CID 106646886
6-(2,3-dihydro-1-benzofuran-7-yl)-5-nitropyrimidin-4-amine
CID 114747242
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 114747241
2-(2,3-dihydro-1-benzofuran-7-yl)pyridin-3-amine
CID 114746394
6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 114747414
5-ethyl-6-N-propyl-4-N-(pyridazin-3-ylmethyl)pyrimidine-4,6-diamine
CID 106898212

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine (CID 114747264) is 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine is CCCNc1ncnc(-c2cccc3c2OCC3)c1CC.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is ZMPZWWIOFCMJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-3-9-18-17-13(4-2)15(19-11-20-17)14-7-5-6-12-8-10-21-16(12)14/h5-7,11H,3-4,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine?
6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114747264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).