N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine

C15H17N3O2 — CID 66326930

IUPACN-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2COc3ccccc32)nc(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-19-15-8-14(16-10(2)17-15)18-12-9-20-13-7-5-4-6-11(12)13/h4-8,12H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyCHTDEBSYTHQIMC-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.73
Rot. Bonds4

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

N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine (PubChem CID 66326930) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
PubChem CID66326930
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine
SMILESCCOc1cc(NC2COc3ccccc32)nc(C)n1
InChIInChI=1S/C15H17N3O2/c1-3-19-15-8-14(16-10(2)17-15)18-12-9-20-13-7-5-4-6-11(12)13/h4-8,12H,3,9H2,1-2H3,(H,16,17,18)
InChIKeyCHTDEBSYTHQIMC-UHFFFAOYSA-N
XLogP2.73
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxy-2-methylpyrimidin-4-amine
CID 66326094
N-(2,3-dihydro-1-benzofuran-3-yl)-5,6-dimethylpyrazin-2-amine
CID 114475837
6-ethoxy-2-methyl-N-(2-methylcyclopropyl)pyrimidin-4-amine
CID 66326709
4-N-(2,3-dihydro-1-benzofuran-3-yl)-6-N-methylpyrimidine-4,6-diamine
CID 80835656
6-chloro-N-(2,3-dihydro-1-benzofuran-3-yl)-2-propan-2-ylpyrimidin-4-amine
CID 80951585
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyrimidine-2,4-diamine
CID 80835565
2-methyl-N-(5-methyl-2,3-dihydro-1-benzofuran-3-yl)pyrimidin-4-amine
CID 75495386
3-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]-1-methylpiperidine-2,6-dione
CID 66326323
N-(2,3-dihydro-1-benzofuran-3-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106574403
2-N-(3,4-dihydro-2H-chromen-4-yl)-6-ethoxypyridine-2,5-diamine
CID 62365052
4-N-(2,3-dihydro-1-benzofuran-3-yl)-2-N-methylpyridine-2,4-diamine
CID 113367866
N-(2,3-dihydro-1-benzofuran-3-yl)-5-methyl-1H-imidazol-2-amine
CID 106574438

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The IUPAC name of N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine (CID 66326930) is N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine is CCOc1cc(NC2COc3ccccc32)nc(C)n1.
What is the InChIKey of N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
The InChIKey is CHTDEBSYTHQIMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-19-15-8-14(16-10(2)17-15)18-12-9-20-13-7-5-4-6-11(12)13/h4-8,12H,3,9H2,1-2H3,(H,16,17,18).
What are the key properties of N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine?
N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine has a molecular weight of 271.32 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1-benzofuran-3-yl)-6-ethoxy-2-methylpyrimidin-4-amine is sourced from PubChem (CID 66326930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).