[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C14H19N5O — CID 125152678

IUPAC[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESC[C@@H](N)[C@H]1CCCCN1C(=O)c1cn2cccnc2n1
InChIInChI=1S/C14H19N5O/c1-10(15)12-5-2-3-8-19(12)13(20)11-9-18-7-4-6-16-14(18)17-11/h4,6-7,9-10,12H,2-3,5,8,15H2,1H3/t10-,12-/m1/s1
InChIKeyPVBWNBKHXIQZNQ-ZYHUDNBSSA-N
MW273.34 g/mol
LogP1.07
Rot. Bonds2

About [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 125152678) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID125152678
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESC[C@@H](N)[C@H]1CCCCN1C(=O)c1cn2cccnc2n1
InChIInChI=1S/C14H19N5O/c1-10(15)12-5-2-3-8-19(12)13(20)11-9-18-7-4-6-16-14(18)17-11/h4,6-7,9-10,12H,2-3,5,8,15H2,1H3/t10-,12-/m1/s1
InChIKeyPVBWNBKHXIQZNQ-ZYHUDNBSSA-N
XLogP1.07
TPSA76.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-1-(imidazo[1,2-a]pyrimidine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 119371770
[(2S)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-(2-pyrimidin-2-yl-1,3-thiazol-4-yl)methanone
CID 124689404
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 124695711
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603261
[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 95602985
azepan-1-yl(imidazo[1,2-a]pyrimidin-2-yl)methanone
CID 94146892
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone
CID 119436088
[2-(1-aminoethyl)piperidin-1-yl]-(6-pyrazol-1-yl-2-pyridinyl)methanone;dihydrochloride
CID 119436087
(2,4-dimethylpiperazin-1-yl)-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 71877303
[(4R,4aR,9aR)-5-methyl-4-phenyl-3,4,4a,6,7,8,9,9a-octahydro-2H-pyrido[3,2-b]azepin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
CID 92608279
[2-(1-aminoethyl)piperidin-1-yl]-quinolin-6-ylmethanone;dihydrochloride
CID 119437061
imidazo[1,2-a]pyrimidin-2-yl-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 94480249

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 125152678) is [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is C[C@@H](N)[C@H]1CCCCN1C(=O)c1cn2cccnc2n1.
What is the InChIKey of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is PVBWNBKHXIQZNQ-ZYHUDNBSSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10(15)12-5-2-3-8-19(12)13(20)11-9-18-7-4-6-16-14(18)17-11/h4,6-7,9-10,12H,2-3,5,8,15H2,1H3/t10-,12-/m1/s1.
What are the key properties of [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(1R)-1-aminoethyl]piperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 125152678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).