[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

C17H20N4O — CID 124692681

IUPAC[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C17H20N4O/c1-12-9-15(18)7-8-21(12)17(22)14-10-19-16(20-11-14)13-5-3-2-4-6-13/h2-6,10-12,15H,7-9,18H2,1H3/t12-,15-/m0/s1
InChIKeyHAGMQWBYRBABPG-WFASDCNBSA-N
MW296.37 g/mol
LogP2.10
Rot. Bonds2

About [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone

[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (PubChem CID 124692681) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.

Molecular Properties

Compound Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
PubChem CID124692681
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
SMILESC[C@H]1C[C@@H](N)CCN1C(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C17H20N4O/c1-12-9-15(18)7-8-21(12)17(22)14-10-19-16(20-11-14)13-5-3-2-4-6-13/h2-6,10-12,15H,7-9,18H2,1H3/t12-,15-/m0/s1
InChIKeyHAGMQWBYRBABPG-WFASDCNBSA-N
XLogP2.10
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-amino-2-methylpiperidin-1-yl)-[3-(5-phenylpyrazol-1-yl)phenyl]methanone
CID 122149167
[(2S)-2-methyl-4-(2-methylphenyl)piperazin-1-yl]-(2-phenylpyrimidin-5-yl)methanone
CID 96581267
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]methanone
CID 124690212
(4-amino-2-methylpiperidin-1-yl)-(5-fluoro-2-pyridinyl)methanone
CID 113435999
4-[(2R,4S)-4-amino-2-methylpiperidine-1-carbonyl]benzonitrile
CID 124573728
(2S,4R)-4-fluoro-1-(2-phenylpyrimidine-5-carbonyl)pyrrolidine-2-carboxamide
CID 120965571
1-[(2S,4R)-4-amino-2-methylpiperidin-1-yl]-4-(5-phenyltetrazol-2-yl)butan-1-one
CID 124693799
1-(4-amino-2-methylpiperidin-1-yl)-2-phenylpropan-1-one
CID 114028861
1-(4-amino-2-methylpiperidin-1-yl)-2-methyl-3-phenylpropan-1-one
CID 122149010
(3-methyl-1,1-dioxo-1,2-thiazolidin-2-yl)-(2-phenylpyrimidin-5-yl)methanone
CID 154778886
[(2R,4R)-4-amino-2-methylpiperidin-1-yl]-[4-(3,4,5-trifluorophenyl)phenyl]methanone
CID 124690117
1-[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 124691943

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The IUPAC name of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone (CID 124692681) is [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone.
What is the SMILES notation for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The canonical SMILES for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is C[C@H]1C[C@@H](N)CCN1C(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
The InChIKey is HAGMQWBYRBABPG-WFASDCNBSA-N. The full InChI is InChI=1S/C17H20N4O/c1-12-9-15(18)7-8-21(12)17(22)14-10-19-16(20-11-14)13-5-3-2-4-6-13/h2-6,10-12,15H,7-9,18H2,1H3/t12-,15-/m0/s1.
What are the key properties of [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone?
[(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone has a molecular weight of 296.37 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-4-amino-2-methylpiperidin-1-yl]-(2-phenylpyrimidin-5-yl)methanone is sourced from PubChem (CID 124692681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).