4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one

C14H16N4O — CID 136977930

IUPAC4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one
SMILESNCCC1CN(c2cc(=O)[nH]cn2)c2ccccc21
InChIInChI=1S/C14H16N4O/c15-6-5-10-8-18(12-4-2-1-3-11(10)12)13-7-14(19)17-9-16-13/h1-4,7,9-10H,5-6,8,15H2,(H,16,17,19)
InChIKeyYCRMLYHQTFJZEE-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.35
Rot. Bonds3

About 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one

4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one (PubChem CID 136977930) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one
PubChem CID136977930
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one
SMILESNCCC1CN(c2cc(=O)[nH]cn2)c2ccccc21
InChIInChI=1S/C14H16N4O/c15-6-5-10-8-18(12-4-2-1-3-11(10)12)13-7-14(19)17-9-16-13/h1-4,7,9-10H,5-6,8,15H2,(H,16,17,19)
InChIKeyYCRMLYHQTFJZEE-UHFFFAOYSA-N
XLogP1.35
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one (CID 136977930) is 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one is NCCC1CN(c2cc(=O)[nH]cn2)c2ccccc21.
What is the InChIKey of 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one?
The InChIKey is YCRMLYHQTFJZEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c15-6-5-10-8-18(12-4-2-1-3-11(10)12)13-7-14(19)17-9-16-13/h1-4,7,9-10H,5-6,8,15H2,(H,16,17,19).
What are the key properties of 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one?
4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one has a molecular weight of 256.31 g/mol, XLogP of 1.35, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-aminoethyl)-2,3-dihydroindol-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136977930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).