[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

C14H19N5O — CID 124695711

IUPAC[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESC[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CN
InChIInChI=1S/C14H19N5O/c1-10-4-2-7-19(12(10)8-15)13(20)11-9-18-6-3-5-16-14(18)17-11/h3,5-6,9-10,12H,2,4,7-8,15H2,1H3/t10-,12-/m0/s1
InChIKeyZQIRPZMXDNGBTJ-JQWIXIFHSA-N
MW273.34 g/mol
LogP0.93
Rot. Bonds2

About [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone

[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (PubChem CID 124695711) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.

Molecular Properties

Compound Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
PubChem CID124695711
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone
SMILESC[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CN
InChIInChI=1S/C14H19N5O/c1-10-4-2-7-19(12(10)8-15)13(20)11-9-18-6-3-5-16-14(18)17-11/h3,5-6,9-10,12H,2,4,7-8,15H2,1H3/t10-,12-/m0/s1
InChIKeyZQIRPZMXDNGBTJ-JQWIXIFHSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The IUPAC name of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone (CID 124695711) is [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone.
What is the SMILES notation for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The canonical SMILES for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is C[C@H]1CCCN(C(=O)c2cn3cccnc3n2)[C@H]1CN.
What is the InChIKey of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
The InChIKey is ZQIRPZMXDNGBTJ-JQWIXIFHSA-N. The full InChI is InChI=1S/C14H19N5O/c1-10-4-2-7-19(12(10)8-15)13(20)11-9-18-6-3-5-16-14(18)17-11/h3,5-6,9-10,12H,2,4,7-8,15H2,1H3/t10-,12-/m0/s1.
What are the key properties of [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone?
[(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone has a molecular weight of 273.34 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,3S)-2-(aminomethyl)-3-methylpiperidin-1-yl]-imidazo[1,2-a]pyrimidin-2-ylmethanone is sourced from PubChem (CID 124695711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).