1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine

C15H15N3O — CID 63090960

IUPAC1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2cc3ccccc3o2)ncc1C(C)N
InChIInChI=1S/C15H15N3O/c1-9(16)12-8-17-15(18-10(12)2)14-7-11-5-3-4-6-13(11)19-14/h3-9H,16H2,1-2H3
InChIKeyOCVJXCAMPUMOTN-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.22
Rot. Bonds2

About 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine

1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine (PubChem CID 63090960) has the molecular formula C15H15N3O and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
PubChem CID63090960
Molecular FormulaC15H15N3O
Molecular Weight253.31 g/mol
Exact Mass253.12
IUPAC Name1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine
SMILESCc1nc(-c2cc3ccccc3o2)ncc1C(C)N
InChIInChI=1S/C15H15N3O/c1-9(16)12-8-17-15(18-10(12)2)14-7-11-5-3-4-6-13(11)19-14/h3-9H,16H2,1-2H3
InChIKeyOCVJXCAMPUMOTN-UHFFFAOYSA-N
XLogP3.22
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 94587547
1-[2-(furan-2-yl)-4-methylpyrimidin-5-yl]ethanamine
CID 62771891
1-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]butan-2-amine
CID 63089399
1-[2-(1-benzofuran-2-yl)-4-methyl-1,3-thiazol-5-yl]ethanamine
CID 61282279
(1R)-1-(1-benzofuran-2-yl)ethanamine;hydrochloride
CID 75525569
2,5-bis(1-benzofuran-2-yl)pyrazine
CID 86184221
5-(1-benzofuran-2-yl)-2-methylpyridine
CID 146179500
4-(1-benzofuran-2-yl)-6-ethoxy-1,3,5-triazin-2-amine
CID 114734487
3-(1-benzofuran-2-yl)-5-(5-methylpyrazin-2-yl)-1,2,4-oxadiazole
CID 167961435
(1S)-1-[3-(1-benzofuran-2-yl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 103832707
2,4-bis(1-benzofuran-2-yl)-6-chloro-1,3,5-triazine
CID 176645637
2-[2-(1-benzofuran-2-yl)pyrimidin-5-yl]acetic acid
CID 82381604

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The IUPAC name of 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine (CID 63090960) is 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine.
What is the SMILES notation for 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The canonical SMILES for 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine is Cc1nc(-c2cc3ccccc3o2)ncc1C(C)N.
What is the InChIKey of 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
The InChIKey is OCVJXCAMPUMOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O/c1-9(16)12-8-17-15(18-10(12)2)14-7-11-5-3-4-6-13(11)19-14/h3-9H,16H2,1-2H3.
What are the key properties of 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine?
1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine has a molecular weight of 253.31 g/mol, XLogP of 3.22, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-benzofuran-2-yl)-4-methylpyrimidin-5-yl]ethanamine is sourced from PubChem (CID 63090960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).