4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one

C17H19N3O2 — CID 134601591

IUPAC4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one
SMILESCC(CC(=O)n1ccc(N)nc1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N3O2/c1-11(13-6-5-12-3-2-4-14(12)10-13)9-16(21)20-8-7-15(18)19-17(20)22/h5-8,10-11H,2-4,9H2,1H3,(H2,18,19,22)
InChIKeyLZLFJFDCDJMDQX-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.15
Rot. Bonds3

About 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one

4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one (PubChem CID 134601591) has the molecular formula C17H19N3O2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one
PubChem CID134601591
Molecular FormulaC17H19N3O2
Molecular Weight297.36 g/mol
Exact Mass297.15
IUPAC Name4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one
SMILESCC(CC(=O)n1ccc(N)nc1=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H19N3O2/c1-11(13-6-5-12-3-2-4-14(12)10-13)9-16(21)20-8-7-15(18)19-17(20)22/h5-8,10-11H,2-4,9H2,1H3,(H2,18,19,22)
InChIKeyLZLFJFDCDJMDQX-UHFFFAOYSA-N
XLogP2.15
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,3-dihydro-1H-inden-5-yl)butanamide
CID 82076746
4-amino-1-(3,3,3-trifluoropropanoyl)pyrimidin-2-one
CID 118607354
1-acetyl-4-aminopyrimidin-2-one;methane
CID 174689479
ethyl 2-(2,3-dihydro-1H-inden-5-yl)propanoate
CID 164900857
3-(2,3-dihydro-1H-inden-5-yl)-4-methyl-1-(4-methylpiperazin-1-yl)pentan-1-one
CID 110408400
1-[(2-methylpropan-2-yl)oxy]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)pentan-2-one
CID 159091465
[(2R)-1-amino-1-oxopropan-2-yl]-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]azanium
CID 8859258
2-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoyl chloride
CID 117047620
(1S)-2-amino-1-(2,3-dihydro-1H-inden-5-yl)ethanol
CID 83001263
1-(2,3-dihydro-1H-inden-5-yl)-3-methylbutan-1-one
CID 43161092
3-hydroxy-3-(5,6,7,8-tetrahydronaphthalen-2-yl)propanoic acid
CID 82366719
1-(2,3-dihydro-1H-inden-5-yl)-1-hydroxy-3-methylbutan-2-one
CID 116835964

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one (CID 134601591) is 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one is CC(CC(=O)n1ccc(N)nc1=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one?
The InChIKey is LZLFJFDCDJMDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O2/c1-11(13-6-5-12-3-2-4-14(12)10-13)9-16(21)20-8-7-15(18)19-17(20)22/h5-8,10-11H,2-4,9H2,1H3,(H2,18,19,22).
What are the key properties of 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one?
4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one has a molecular weight of 297.36 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[3-(2,3-dihydro-1H-inden-5-yl)butanoyl]pyrimidin-2-one is sourced from PubChem (CID 134601591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).