(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

C19H22N4O2 — CID 95575472

IUPAC(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnc(N2CCOCC2)nc1)c1cc2ccccc2o1
InChIInChI=1S/C19H22N4O2/c1-14(18-10-16-4-2-3-5-17(16)25-18)20-11-15-12-21-19(22-13-15)23-6-8-24-9-7-23/h2-5,10,12-14,20H,6-9,11H2,1H3/t14-/m0/s1
InChIKeyCQMRCLYOPZFMLD-AWEZNQCLSA-N
MW338.41 g/mol
LogP2.91
Rot. Bonds5

About (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine

(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (PubChem CID 95575472) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
PubChem CID95575472
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
SMILESC[C@H](NCc1cnc(N2CCOCC2)nc1)c1cc2ccccc2o1
InChIInChI=1S/C19H22N4O2/c1-14(18-10-16-4-2-3-5-17(16)25-18)20-11-15-12-21-19(22-13-15)23-6-8-24-9-7-23/h2-5,10,12-14,20H,6-9,11H2,1H3/t14-/m0/s1
InChIKeyCQMRCLYOPZFMLD-AWEZNQCLSA-N
XLogP2.91
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1-benzofuran-2-yl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66416307
(2S,3S)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277071
(2R)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 95277051
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-1-(2-morpholin-4-ylethyl)pyrazol-4-amine
CID 99781367
1-(1-benzofuran-2-yl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 43722034
2-[[1-(1-benzofuran-2-yl)ethylamino]methyl]phenol
CID 43722013
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
CID 111334317
1-(1-benzofuran-2-yl)-N-[(3-bromo-4-methylphenyl)methyl]ethanamine
CID 105401275
1-(1-benzofuran-2-yl)-N-(1H-1,2,4-triazol-5-ylmethyl)ethanamine
CID 54884827
1-(1-benzofuran-2-yl)-N-[(3,4,5-trimethoxyphenyl)methyl]ethanamine
CID 47009083
N-[(1R)-1-(1-benzofuran-2-yl)ethyl]-4-morpholin-4-ylpyridine-2-carboxamide
CID 126771688
1-(2-bicyclo[2.2.1]heptanyl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine
CID 56814804

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine (CID 95575472) is (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is C[C@H](NCc1cnc(N2CCOCC2)nc1)c1cc2ccccc2o1.
What is the InChIKey of (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
The InChIKey is CQMRCLYOPZFMLD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-14(18-10-16-4-2-3-5-17(16)25-18)20-11-15-12-21-19(22-13-15)23-6-8-24-9-7-23/h2-5,10,12-14,20H,6-9,11H2,1H3/t14-/m0/s1.
What are the key properties of (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine?
(1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine has a molecular weight of 338.41 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzofuran-2-yl)-N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]ethanamine is sourced from PubChem (CID 95575472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).