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

C15H17N3O — CID 114747290

IUPAC6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc3c2OCC3)ncn1
InChIInChI=1S/C15H17N3O/c1-2-7-16-14-9-13(17-10-18-14)12-5-3-4-11-6-8-19-15(11)12/h3-5,9-10H,2,6-8H2,1H3,(H,16,17,18)
InChIKeyQLKKJEOZWAKKCL-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.90
Rot. Bonds4

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

6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine (PubChem CID 114747290) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
PubChem CID114747290
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(-c2cccc3c2OCC3)ncn1
InChIInChI=1S/C15H17N3O/c1-2-7-16-14-9-13(17-10-18-14)12-5-3-4-11-6-8-19-15(11)12/h3-5,9-10H,2,6-8H2,1H3,(H,16,17,18)
InChIKeyQLKKJEOZWAKKCL-UHFFFAOYSA-N
XLogP2.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrazin-2-amine
CID 114747256
6-(2,3-dihydro-1-benzofuran-7-yl)-5-ethyl-N-propylpyrimidin-4-amine
CID 114747264
2-cyclopropyl-6-(2,3-dihydro-1-benzofuran-7-yl)-N-ethylpyrimidin-4-amine
CID 114747205
[2-(2,3-dihydro-1-benzofuran-7-yl)-4-pyridinyl]hydrazine
CID 102825373
6-[2-(2-methoxyethoxy)phenyl]-N-propylpyrimidin-4-amine
CID 104663227
6-(1,3-dihydroisoindol-2-yl)-N-propylpyrimidin-4-amine
CID 80822758
4-(2,3-dihydro-1-benzofuran-7-yl)-2-ethyl-1H-pyrimidin-6-one
CID 136955750
ethane;7-phenyl-2,3-dihydro-1-benzofuran;propane
CID 143222384
N-butyl-6-(2-methoxyphenyl)pyrimidin-4-amine
CID 69178153
6-(7-fluoro-1-benzofuran-2-yl)-N-propylpyrimidin-4-amine
CID 114734949
N-[cycloheptyl(2,3-dihydro-1-benzofuran-7-yl)methyl]propan-1-amine
CID 114745571
6-(2,3-dihydro-1-benzofuran-7-yl)-5-propan-2-ylpyrimidin-4-amine
CID 114747278

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine (CID 114747290) is 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine is CCCNc1cc(-c2cccc3c2OCC3)ncn1.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine?
The InChIKey is QLKKJEOZWAKKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-2-7-16-14-9-13(17-10-18-14)12-5-3-4-11-6-8-19-15(11)12/h3-5,9-10H,2,6-8H2,1H3,(H,16,17,18).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine?
6-(2,3-dihydro-1-benzofuran-7-yl)-N-propylpyrimidin-4-amine has a molecular weight of 255.32 g/mol, XLogP of 2.90, 4 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)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 114747290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).