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

C17H21N3O — CID 114747223

IUPAC6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-c2cccc3c2OCC3)c1C
InChIInChI=1S/C17H21N3O/c1-4-14-19-15(11(3)17(20-14)18-5-2)13-8-6-7-12-9-10-21-16(12)13/h6-8H,4-5,9-10H2,1-3H3,(H,18,19,20)
InChIKeyKSAAQRBULOUBPD-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.38
Rot. Bonds4

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

6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine (PubChem CID 114747223) 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)-N,2-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
PubChem CID114747223
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(CC)nc(-c2cccc3c2OCC3)c1C
InChIInChI=1S/C17H21N3O/c1-4-14-19-15(11(3)17(20-14)18-5-2)13-8-6-7-12-9-10-21-16(12)13/h6-8H,4-5,9-10H2,1-3H3,(H,18,19,20)
InChIKeyKSAAQRBULOUBPD-UHFFFAOYSA-N
XLogP3.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,4-dihydro-2H-chromen-8-yl)-N-ethyl-2,5-dimethylpyrimidin-4-amine
CID 114747414
6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 114747241
6-(2-chlorophenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 80975059
6-(2,3-difluoro-4-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 107514529
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-ethyl-6-(2-fluorophenyl)-5-methyl-N-propylpyrimidin-4-amine
CID 80975172
4-chloro-6-(2,3-dihydro-1-benzofuran-7-yl)-5-methyl-2-propan-2-ylpyrimidine
CID 114747119
6-(2,3-dichlorophenyl)-2-ethyl-5-methyl-N-propylpyrimidin-4-amine
CID 80970830
2-ethyl-N,5-dimethyl-6-naphthalen-1-ylpyrimidin-4-amine
CID 80970250
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)phenyl]methyl]ethanamine
CID 114746594
6-(2,6-difluoro-3-methylphenyl)-N,2-diethyl-5-methylpyrimidin-4-amine
CID 82804428

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine (CID 114747223) is 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(CC)nc(-c2cccc3c2OCC3)c1C.
What is the InChIKey of 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is KSAAQRBULOUBPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-4-14-19-15(11(3)17(20-14)18-5-2)13-8-6-7-12-9-10-21-16(12)13/h6-8H,4-5,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of 6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine?
6-(2,3-dihydro-1-benzofuran-7-yl)-N,2-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 283.38 g/mol, XLogP of 3.38, 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,2-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 114747223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).