5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one

C14H14N4O — CID 82481963

IUPAC5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
SMILESNCCc1nccc(-c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C14H14N4O/c15-5-3-13-16-6-4-12(17-13)9-1-2-11-10(7-9)8-14(19)18-11/h1-2,4,6-7H,3,5,8,15H2,(H,18,19)
InChIKeyJNXHOXWTCLJFGW-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.14
Rot. Bonds3

About 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one

5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one (PubChem CID 82481963) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
PubChem CID82481963
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one
SMILESNCCc1nccc(-c2ccc3c(c2)CC(=O)N3)n1
InChIInChI=1S/C14H14N4O/c15-5-3-13-16-6-4-12(17-13)9-1-2-11-10(7-9)8-14(19)18-11/h1-2,4,6-7H,3,5,8,15H2,(H,18,19)
InChIKeyJNXHOXWTCLJFGW-UHFFFAOYSA-N
XLogP1.14
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-(2-aminoethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one
CID 82298805
5-[5-(aminomethyl)-1H-pyrazol-3-yl]-1,3-dihydroindol-2-one
CID 82473851
5-[5-(aminomethyl)-1,2-thiazol-3-yl]-1,3-dihydroindol-2-one
CID 82479021
2-(2-aminoethyl)-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
CID 82410094
5-[5-(aminomethyl)-1,3,4-thiadiazol-2-yl]-1,3-dihydroindol-2-one
CID 82360106
4-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)pyrimidine-2-carbonitrile
CID 116900840
5-(4-aminobutyl)-1,3-dihydroindol-2-one
CID 82190436
3-[4-(2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]propanenitrile
CID 116866806
2-[4-(2-oxo-1,3-dihydroindol-5-yl)imidazol-1-yl]acetic acid
CID 82299815
2-[4-(4-ethoxy-3-methylphenyl)pyrimidin-2-yl]ethanamine
CID 96664975
5-[6-(propylamino)pyrimidin-4-yl]-1,3-dihydroindol-2-one
CID 118033824
5-(2-acetyl-6-methylpyrimidin-4-yl)-1,3-dihydroindol-2-one
CID 116895355

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one (CID 82481963) is 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one is NCCc1nccc(-c2ccc3c(c2)CC(=O)N3)n1.
What is the InChIKey of 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
The InChIKey is JNXHOXWTCLJFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-5-3-13-16-6-4-12(17-13)9-1-2-11-10(7-9)8-14(19)18-11/h1-2,4,6-7H,3,5,8,15H2,(H,18,19).
What are the key properties of 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one?
5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-aminoethyl)pyrimidin-4-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 82481963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).