(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one

C11H16N4O — CID 95354948

IUPAC(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
SMILESCc1nccc(CN2CCC[C@H](N)C2=O)n1
InChIInChI=1S/C11H16N4O/c1-8-13-5-4-9(14-8)7-15-6-2-3-10(12)11(15)16/h4-5,10H,2-3,6-7,12H2,1H3/t10-/m0/s1
InChIKeyYJTFWQYNFKQYFW-JTQLQIEISA-N
MW220.28 g/mol
LogP0.23
Rot. Bonds2

About (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one

(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one (PubChem CID 95354948) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one.

Molecular Properties

Compound Name(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
PubChem CID95354948
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
SMILESCc1nccc(CN2CCC[C@H](N)C2=O)n1
InChIInChI=1S/C11H16N4O/c1-8-13-5-4-9(14-8)7-15-6-2-3-10(12)11(15)16/h4-5,10H,2-3,6-7,12H2,1H3/t10-/m0/s1
InChIKeyYJTFWQYNFKQYFW-JTQLQIEISA-N
XLogP0.23
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-methylpyrimidin-4-yl)methyl]imidazolidin-2-one
CID 115370501
[1-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115527317
3-(1H-indol-4-ylmethylamino)-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 154800759
3-[(6,7-diethoxyquinolin-4-yl)amino]-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one
CID 167963830
1-[(2-methylpyrimidin-4-yl)methyl]-1,3-diazinane-2,4-dione
CID 79777847
3-amino-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-2-one
CID 112672074
1-[(2-methylpyrimidin-4-yl)methyl]-3-propylpiperazine-2,5-dione
CID 64967691
4-[(3-amino-2-oxopiperidin-1-yl)methyl]benzonitrile
CID 11195559
[3-methyl-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-yl]methanamine
CID 115527232
1-[1-[(2-methylpyrimidin-4-yl)methyl]piperidin-4-yl]pyrrolidin-2-one
CID 126899404
2-[(2-methylpyrimidin-4-yl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79940082
3-amino-1-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-2-one
CID 106421356

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The IUPAC name of (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one (CID 95354948) is (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one.
What is the SMILES notation for (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The canonical SMILES for (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one is Cc1nccc(CN2CCC[C@H](N)C2=O)n1.
What is the InChIKey of (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
The InChIKey is YJTFWQYNFKQYFW-JTQLQIEISA-N. The full InChI is InChI=1S/C11H16N4O/c1-8-13-5-4-9(14-8)7-15-6-2-3-10(12)11(15)16/h4-5,10H,2-3,6-7,12H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one?
(3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one has a molecular weight of 220.28 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-1-[(2-methylpyrimidin-4-yl)methyl]piperidin-2-one is sourced from PubChem (CID 95354948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).