(1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine

C15H15N3O — CID 94577961

IUPAC(1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncnc1)c1cc2ccccc2o1
InChIInChI=1S/C15H15N3O/c1-11(18-9-12-7-16-10-17-8-12)15-6-13-4-2-3-5-14(13)19-15/h2-8,10-11,18H,9H2,1H3/t11-/m0/s1
InChIKeyFFWVPRSEFKORDZ-NSHDSACASA-N
MW253.31 g/mol
LogP3.07
Rot. Bonds4

About (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine

(1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine (PubChem CID 94577961) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
PubChem CID94577961
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name(1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine
SMILESC[C@H](NCc1cncnc1)c1cc2ccccc2o1
InChIInChI=1S/C15H15N3O/c1-11(18-9-12-7-16-10-17-8-12)15-6-13-4-2-3-5-14(13)19-15/h2-8,10-11,18H,9H2,1H3/t11-/m0/s1
InChIKeyFFWVPRSEFKORDZ-NSHDSACASA-N
XLogP3.07
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The IUPAC name of (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine (CID 94577961) is (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine.
What is the SMILES notation for (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The canonical SMILES for (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine is C[C@H](NCc1cncnc1)c1cc2ccccc2o1.
What is the InChIKey of (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine?
The InChIKey is FFWVPRSEFKORDZ-NSHDSACASA-N. The full InChI is InChI=1S/C15H15N3O/c1-11(18-9-12-7-16-10-17-8-12)15-6-13-4-2-3-5-14(13)19-15/h2-8,10-11,18H,9H2,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine?
(1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1-benzofuran-2-yl)-N-(pyrimidin-5-ylmethyl)ethanamine is sourced from PubChem (CID 94577961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).