(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

C13H21N5O — CID 79024327

IUPAC(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H21N5O/c1-2-11(14)12(19)17-10-5-3-8-18(9-10)13-15-6-4-7-16-13/h4,6-7,10-11H,2-3,5,8-9,14H2,1H3,(H,17,19)/t10?,11-/m0/s1
InChIKeyWUYBGRVPVRKQND-DTIOYNMSSA-N
MW263.34 g/mol
LogP0.30
Rot. Bonds4

About (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide

(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (PubChem CID 79024327) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
PubChem CID79024327
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
SMILESCC[C@H](N)C(=O)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C13H21N5O/c1-2-11(14)12(19)17-10-5-3-8-18(9-10)13-15-6-4-7-16-13/h4,6-7,10-11H,2-3,5,8-9,14H2,1H3,(H,17,19)/t10?,11-/m0/s1
InChIKeyWUYBGRVPVRKQND-DTIOYNMSSA-N
XLogP0.30
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pentanamide
CID 61179360
(2R)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119857933
3-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide;dihydrochloride
CID 120503187
2-(aminomethyl)-3-methyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 65224744
2-ethoxy-N-(1-pyrimidin-2-ylpiperidin-3-yl)acetamide
CID 60793288
(2R)-2-pyrazol-1-yl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 95134540
N-butan-2-yl-3-[(1-pyrimidin-2-ylpiperidin-3-yl)carbamoylamino]propanamide
CID 51089111
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
CID 103831283
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
3-methylsulfanyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463875
3-methylsulfanyl-N-[(3S)-1-pyrimidin-2-ylpiperidin-3-yl]propanamide
CID 42463878
2-amino-2-cyclopropyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)propanamide
CID 60866816

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The IUPAC name of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide (CID 79024327) is (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is CC[C@H](N)C(=O)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
The InChIKey is WUYBGRVPVRKQND-DTIOYNMSSA-N. The full InChI is InChI=1S/C13H21N5O/c1-2-11(14)12(19)17-10-5-3-8-18(9-10)13-15-6-4-7-16-13/h4,6-7,10-11H,2-3,5,8-9,14H2,1H3,(H,17,19)/t10?,11-/m0/s1.
What are the key properties of (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide?
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide has a molecular weight of 263.34 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide is sourced from PubChem (CID 79024327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).