2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one

C19H24N6O2 — CID 137048510

IUPAC2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C19H24N6O2/c1-13-10-14-4-2-3-5-15(14)25(13)18(27)12-23-6-8-24(9-7-23)16-11-17(26)22-19(20)21-16/h2-5,11,13H,6-10,12H2,1H3,(H3,20,21,22,26)/t13-/m0/s1
InChIKeyONIZEBYSWWJECA-ZDUSSCGKSA-N
MW368.44 g/mol
LogP0.45
Rot. Bonds3

About 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one

2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one (PubChem CID 137048510) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
PubChem CID137048510
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one
SMILESC[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(=O)[nH]c(N)n2)CC1
InChIInChI=1S/C19H24N6O2/c1-13-10-14-4-2-3-5-15(14)25(13)18(27)12-23-6-8-24(9-7-23)16-11-17(26)22-19(20)21-16/h2-5,11,13H,6-10,12H2,1H3,(H3,20,21,22,26)/t13-/m0/s1
InChIKeyONIZEBYSWWJECA-ZDUSSCGKSA-N
XLogP0.45
TPSA98.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one with MolForge

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Launch Full Analysis

Related Compounds

2-amino-4-[4-[2-(1,3-dihydroisoindol-2-yl)acetyl]piperazin-1-yl]-1H-pyrimidin-6-one
CID 136948059
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-[4-(4-hydroxyphenyl)piperazin-1-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8690886
1-(2-methyl-2,3-dihydroindol-1-yl)-2-(4-methylpiperidin-1-yl)ethanone
CID 5296275
2-(3-aminopyrrolidin-1-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 62068343
2-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 51632378
1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]-2-[4-(morpholine-4-carbonyl)piperazin-1-yl]ethanone
CID 41325271
2-(4-chlorophenyl)-1-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]piperazin-1-yl]ethanone
CID 112829151
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 8010779
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-[4-(2-amino-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]-N-(4-fluorophenyl)acetamide
CID 136663642
N-(2-chlorophenyl)-2-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]acetamide
CID 9434251

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one (CID 137048510) is 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one is C[C@H]1Cc2ccccc2N1C(=O)CN1CCN(c2cc(=O)[nH]c(N)n2)CC1.
What is the InChIKey of 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is ONIZEBYSWWJECA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-13-10-14-4-2-3-5-15(14)25(13)18(27)12-23-6-8-24(9-7-23)16-11-17(26)22-19(20)21-16/h2-5,11,13H,6-10,12H2,1H3,(H3,20,21,22,26)/t13-/m0/s1.
What are the key properties of 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one?
2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 368.44 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-[4-[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl]piperazin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 137048510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).