5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one

C12H12N4O — CID 135709705

IUPAC5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCc3ccccc32)nc[nH]c1=O
InChIInChI=1S/C12H12N4O/c13-10-11(14-7-15-12(10)17)16-6-5-8-3-1-2-4-9(8)16/h1-4,7H,5-6,13H2,(H,14,15,17)
InChIKeyAXQGMTDBKGESQO-UHFFFAOYSA-N
MW228.26 g/mol
LogP1.05
Rot. Bonds1

About 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one

5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one (PubChem CID 135709705) has the molecular formula C12H12N4O and a molecular weight of 228.26 g/mol. Its IUPAC name is 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one
PubChem CID135709705
Molecular FormulaC12H12N4O
Molecular Weight228.26 g/mol
Exact Mass228.10
IUPAC Name5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one
SMILESNc1c(N2CCc3ccccc32)nc[nH]c1=O
InChIInChI=1S/C12H12N4O/c13-10-11(14-7-15-12(10)17)16-6-5-8-3-1-2-4-9(8)16/h1-4,7H,5-6,13H2,(H,14,15,17)
InChIKeyAXQGMTDBKGESQO-UHFFFAOYSA-N
XLogP1.05
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one (CID 135709705) is 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one is Nc1c(N2CCc3ccccc32)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one?
The InChIKey is AXQGMTDBKGESQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c13-10-11(14-7-15-12(10)17)16-6-5-8-3-1-2-4-9(8)16/h1-4,7H,5-6,13H2,(H,14,15,17).
What are the key properties of 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one has a molecular weight of 228.26 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(2,3-dihydroindol-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135709705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).