6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine

C17H22N4O — CID 95206013

IUPAC6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(CCN)cc(N(C)C[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C17H22N4O/c1-12-19-14(7-8-18)10-17(20-12)21(2)11-15-9-13-5-3-4-6-16(13)22-15/h3-6,10,15H,7-9,11,18H2,1-2H3/t15-/m1/s1
InChIKeyVEIUHXRVTRRTIE-OAHLLOKOSA-N
MW298.39 g/mol
LogP1.73
Rot. Bonds5

About 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine

6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine (PubChem CID 95206013) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine
PubChem CID95206013
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine
SMILESCc1nc(CCN)cc(N(C)C[C@H]2Cc3ccccc3O2)n1
InChIInChI=1S/C17H22N4O/c1-12-19-14(7-8-18)10-17(20-12)21(2)11-15-9-13-5-3-4-6-16(13)22-15/h3-6,10,15H,7-9,11,18H2,1-2H3/t15-/m1/s1
InChIKeyVEIUHXRVTRRTIE-OAHLLOKOSA-N
XLogP1.73
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine (CID 95206013) is 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine is Cc1nc(CCN)cc(N(C)C[C@H]2Cc3ccccc3O2)n1.
What is the InChIKey of 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
The InChIKey is VEIUHXRVTRRTIE-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-19-14(7-8-18)10-17(20-12)21(2)11-15-9-13-5-3-4-6-16(13)22-15/h3-6,10,15H,7-9,11,18H2,1-2H3/t15-/m1/s1.
What are the key properties of 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine?
6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine has a molecular weight of 298.39 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-aminoethyl)-N-[[(2R)-2,3-dihydro-1-benzofuran-2-yl]methyl]-N,2-dimethylpyrimidin-4-amine is sourced from PubChem (CID 95206013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).