[(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone

C11H15ClN4O — CID 124700442

IUPAC[(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone
SMILESNC[C@H]1CCCCN1C(=O)c1ncncc1Cl
InChIInChI=1S/C11H15ClN4O/c12-9-6-14-7-15-10(9)11(17)16-4-2-1-3-8(16)5-13/h6-8H,1-5,13H2/t8-/m1/s1
InChIKeyOGMJFOKBDVECHD-MRVPVSSYSA-N
MW254.72 g/mol
LogP1.08
Rot. Bonds2

About [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone

[(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone (PubChem CID 124700442) has the molecular formula C11H15ClN4O and a molecular weight of 254.72 g/mol. Its IUPAC name is [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone
PubChem CID124700442
Molecular FormulaC11H15ClN4O
Molecular Weight254.72 g/mol
Exact Mass254.09
IUPAC Name[(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone
SMILESNC[C@H]1CCCCN1C(=O)c1ncncc1Cl
InChIInChI=1S/C11H15ClN4O/c12-9-6-14-7-15-10(9)11(17)16-4-2-1-3-8(16)5-13/h6-8H,1-5,13H2/t8-/m1/s1
InChIKeyOGMJFOKBDVECHD-MRVPVSSYSA-N
XLogP1.08
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(5-chloropyrimidin-4-yl)-[(2S)-2-[(2S)-2-(furan-2-yl)-2-hydroxyethyl]azepan-1-yl]methanone
CID 97326179
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone
CID 81482675
[2-(aminomethyl)pyrrolidin-1-yl]-(3-chloro-4-pyridinyl)methanone;dihydrochloride
CID 119632894
[2-(aminomethyl)pyrrolidin-1-yl]-(2-chlorophenyl)methanone
CID 81482963
[2-(aminomethyl)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104671337
[2-(aminomethyl)piperidin-1-yl]-(5-fluoro-3-pyridinyl)methanone
CID 115736898
[2-(aminomethyl)piperidin-1-yl]-(2-chloro-4,5-difluorophenyl)methanone;hydrochloride
CID 119468475
[2-(aminomethyl)piperidin-1-yl]-(5-bromo-2-pyridinyl)methanone
CID 62957995
[2-(aminomethyl)piperidin-1-yl]-(2,4-dichloro-5-fluorophenyl)methanone;hydrochloride
CID 119466333
[(2R)-2-(aminomethyl)piperidin-1-yl]-(4-chloro-3-methylphenyl)methanone
CID 124576129
[2-(aminomethyl)azepan-1-yl]-(1H-pyrazol-4-yl)methanone
CID 116639948
1-[2-(aminomethyl)piperidin-1-yl]-2-(2,4,5-trichlorophenoxy)ethanone;hydrochloride
CID 119468976

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone?
The IUPAC name of [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone (CID 124700442) is [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone.
What is the SMILES notation for [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone?
The canonical SMILES for [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone is NC[C@H]1CCCCN1C(=O)c1ncncc1Cl.
What is the InChIKey of [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone?
The InChIKey is OGMJFOKBDVECHD-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H15ClN4O/c12-9-6-14-7-15-10(9)11(17)16-4-2-1-3-8(16)5-13/h6-8H,1-5,13H2/t8-/m1/s1.
What are the key properties of [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone?
[(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone has a molecular weight of 254.72 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(aminomethyl)piperidin-1-yl]-(5-chloropyrimidin-4-yl)methanone is sourced from PubChem (CID 124700442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).