1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one

C13H19N5O — CID 141278198

IUPAC1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one
SMILESN[C@H]1CN(c2ncccn2)C[C@@H]1N1CCCCC1=O
InChIInChI=1S/C13H19N5O/c14-10-8-17(13-15-5-3-6-16-13)9-11(10)18-7-2-1-4-12(18)19/h3,5-6,10-11H,1-2,4,7-9,14H2/t10-,11-/m0/s1
InChIKeyBDTHXXKBIXUJEA-QWRGUYRKSA-N
MW261.33 g/mol
LogP0.00
Rot. Bonds2

About 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one

1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one (PubChem CID 141278198) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one.

Molecular Properties

Compound Name1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one
PubChem CID141278198
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one
SMILESN[C@H]1CN(c2ncccn2)C[C@@H]1N1CCCCC1=O
InChIInChI=1S/C13H19N5O/c14-10-8-17(13-15-5-3-6-16-13)9-11(10)18-7-2-1-4-12(18)19/h3,5-6,10-11H,1-2,4,7-9,14H2/t10-,11-/m0/s1
InChIKeyBDTHXXKBIXUJEA-QWRGUYRKSA-N
XLogP0.00
TPSA75.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3S,4R)-4-amino-1-(6-phenylpyrimidin-4-yl)pyrrolidin-3-yl]piperidin-2-one
CID 68839547
1-[(3S,4S)-4-amino-1-[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]pyrrolidin-3-yl]piperidin-2-one
CID 53324211
1-[(3R,4S)-4-aminopyrrolidin-3-yl]piperidin-2-one
CID 89033638
1-[1-(3-amino-2-pyridinyl)piperidin-4-yl]piperidin-2-one
CID 71155695
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine
CID 72922661
1-[4-amino-1-[5-[(3R)-3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]butoxy]pyrimidin-2-yl]pyrrolidin-3-yl]pyrrolidin-2-one
CID 142710933
(9R,9aR)-9-amino-1,2,3,6,7,8,9,9a-octahydroquinolizin-4-one
CID 162397801
1-[4-amino-1-[4-(3,3-difluoropyrrolidin-1-yl)-1,3,5-triazin-2-yl]pyrrolidin-3-yl]-5,5-difluoropiperidin-2-one
CID 90862547
1-[4-(4-pyrimidin-2-ylpiperazin-1-yl)butyl]piperidin-2-one
CID 10358464
(3R,4S)-4-propyl-1-pyrimidin-2-ylpyrrolidin-3-amine;hydrochloride
CID 154899337
1-[(3R,4R)-3-amino-1-[5-[3-[1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)piperidin-4-yl]propoxy]pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
CID 46913600
(2R)-11-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)piperidine-1-carbonyl]-7,11-diazatricyclo[7.3.1.02,7]tridecan-6-one
CID 134804657

Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one?
The IUPAC name of 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one (CID 141278198) is 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one.
What is the SMILES notation for 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one?
The canonical SMILES for 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one is N[C@H]1CN(c2ncccn2)C[C@@H]1N1CCCCC1=O.
What is the InChIKey of 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one?
The InChIKey is BDTHXXKBIXUJEA-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H19N5O/c14-10-8-17(13-15-5-3-6-16-13)9-11(10)18-7-2-1-4-12(18)19/h3,5-6,10-11H,1-2,4,7-9,14H2/t10-,11-/m0/s1.
What are the key properties of 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one?
1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one has a molecular weight of 261.33 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4S)-4-amino-1-pyrimidin-2-ylpyrrolidin-3-yl]piperidin-2-one is sourced from PubChem (CID 141278198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).