3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one

C13H15ClN6O — CID 129473564

IUPAC3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@@H](Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C13H15ClN6O/c14-9-6-17-13(18-7-9)19-10-2-1-5-20(8-10)11-12(21)16-4-3-15-11/h3-4,6-7,10H,1-2,5,8H2,(H,16,21)(H,17,18,19)/t10-/m1/s1
InChIKeyIHLCDDKTWITRBT-SNVBAGLBSA-N
MW306.76 g/mol
LogP1.29
Rot. Bonds3

About 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one

3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one (PubChem CID 129473564) has the molecular formula C13H15ClN6O and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
PubChem CID129473564
Molecular FormulaC13H15ClN6O
Molecular Weight306.76 g/mol
Exact Mass306.10
IUPAC Name3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
SMILESO=c1[nH]ccnc1N1CCC[C@@H](Nc2ncc(Cl)cn2)C1
InChIInChI=1S/C13H15ClN6O/c14-9-6-17-13(18-7-9)19-10-2-1-5-20(8-10)11-12(21)16-4-3-15-11/h3-4,6-7,10H,1-2,5,8H2,(H,16,21)(H,17,18,19)/t10-/m1/s1
InChIKeyIHLCDDKTWITRBT-SNVBAGLBSA-N
XLogP1.29
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.76
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one with MolForge

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Related Compounds

5-chloro-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 129473562
3-[(3S)-3-(4-chloro-2-nitroanilino)piperidin-1-yl]-1H-pyrazin-2-one
CID 125138336
3-[3-[(4-chloro-2,6-dimethylphenyl)methylamino]piperidin-1-yl]-1H-pyrazin-2-one
CID 129007063
3-[(3S)-3-[(6,7-difluoroquinoxalin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 171358910
1,3-dimethyl-2,4-dioxo-6-[[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyrimidine-5-carbonitrile
CID 129473642
3-[3-[(1-tert-butylpyrazolo[3,4-d]pyrimidin-4-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one
CID 128998768
2-ethyl-N-[1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1,3-thiazole-5-sulfonamide
CID 154754888
3-amino-N-[(3R)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]pyrazine-2-carboxamide
CID 129476469
N-[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]-1H-pyrazole-5-carboxamide
CID 129476538
N-ethyl-6-[[(3S)-1-(2-oxo-1H-pyrazin-3-yl)piperidin-3-yl]amino]pyridazine-3-carboxamide
CID 129330963
3-(4-methylazepan-1-yl)-1H-pyrazin-2-one
CID 115650237
3-[(3S)-3-aminopyrrolidin-1-yl]-1H-pyrazin-2-one
CID 129394339

Frequently Asked Questions

What is the IUPAC name of 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one (CID 129473564) is 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one is O=c1[nH]ccnc1N1CCC[C@@H](Nc2ncc(Cl)cn2)C1.
What is the InChIKey of 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
The InChIKey is IHLCDDKTWITRBT-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15ClN6O/c14-9-6-17-13(18-7-9)19-10-2-1-5-20(8-10)11-12(21)16-4-3-15-11/h3-4,6-7,10H,1-2,5,8H2,(H,16,21)(H,17,18,19)/t10-/m1/s1.
What are the key properties of 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one?
3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one has a molecular weight of 306.76 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3R)-3-[(5-chloropyrimidin-2-yl)amino]piperidin-1-yl]-1H-pyrazin-2-one is sourced from PubChem (CID 129473564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).