5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one

C14H14N4O — CID 116833671

IUPAC5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one
SMILESNCC(c1ccc2c(c1)CC(=O)N2)c1ccncn1
InChIInChI=1S/C14H14N4O/c15-7-11(13-3-4-16-8-17-13)9-1-2-12-10(5-9)6-14(19)18-12/h1-5,8,11H,6-7,15H2,(H,18,19)
InChIKeyOFLYKRYJNAVVRG-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.06
Rot. Bonds3

About 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one

5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one (PubChem CID 116833671) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one
PubChem CID116833671
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC Name5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one
SMILESNCC(c1ccc2c(c1)CC(=O)N2)c1ccncn1
InChIInChI=1S/C14H14N4O/c15-7-11(13-3-4-16-8-17-13)9-1-2-12-10(5-9)6-14(19)18-12/h1-5,8,11H,6-7,15H2,(H,18,19)
InChIKeyOFLYKRYJNAVVRG-UHFFFAOYSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[2-amino-1-(5-bromo-1H-imidazol-2-yl)ethyl]-1,3-dihydroindol-2-one
CID 116835058
5-[amino(pyridin-4-yl)methyl]-1,3-dihydroindol-2-one
CID 43198852
5-(1-amino-3-methoxypropan-2-yl)-1,3-dihydroindol-2-one
CID 116835597
2-(3-chloro-4-fluorophenyl)-2-pyrimidin-4-ylethanamine
CID 116833688
5-[amino(chloro)methyl]-1,3-dihydroindol-2-one
CID 116947756
5-[amino(bromo)methyl]-1,3-dihydroindol-2-one
CID 116947599
5-[3-amino-2,2-dimethyl-1-(methylamino)propyl]-1,3-dihydroindol-2-one
CID 116949019
5-[amino(pyridin-3-yl)methyl]-1,3-dihydroindol-2-one
CID 43198851
methane;5-propan-2-yl-1,3-dihydroindol-2-one
CID 160830162
(2S)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438818
(2R)-2-(2-oxo-1,3-dihydroindol-5-yl)propanoic acid
CID 95438819
5-[1-amino-2-(methylamino)ethyl]-1,3-dihydroindol-2-one
CID 116932458

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one?
The IUPAC name of 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one (CID 116833671) is 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one is NCC(c1ccc2c(c1)CC(=O)N2)c1ccncn1.
What is the InChIKey of 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one?
The InChIKey is OFLYKRYJNAVVRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c15-7-11(13-3-4-16-8-17-13)9-1-2-12-10(5-9)6-14(19)18-12/h1-5,8,11H,6-7,15H2,(H,18,19).
What are the key properties of 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one?
5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one has a molecular weight of 254.29 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-1-pyrimidin-4-ylethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 116833671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).