2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide

C13H20N6O2 — CID 60846790

IUPAC2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
SMILESNC(=O)CC(N)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N6O2/c14-10(8-11(15)20)12(21)18-9-2-6-19(7-3-9)13-16-4-1-5-17-13/h1,4-5,9-10H,2-3,6-8,14H2,(H2,15,20)(H,18,21)
InChIKeyZAYBQNAGONPFIY-UHFFFAOYSA-N
MW292.34 g/mol
LogP-1.24
Rot. Bonds5

About 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide

2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide (PubChem CID 60846790) has the molecular formula C13H20N6O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide.

Molecular Properties

Compound Name2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
PubChem CID60846790
Molecular FormulaC13H20N6O2
Molecular Weight292.34 g/mol
Exact Mass292.16
IUPAC Name2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide
SMILESNC(=O)CC(N)C(=O)NC1CCN(c2ncccn2)CC1
InChIInChI=1S/C13H20N6O2/c14-10(8-11(15)20)12(21)18-9-2-6-19(7-3-9)13-16-4-1-5-17-13/h1,4-5,9-10H,2-3,6-8,14H2,(H2,15,20)(H,18,21)
InChIKeyZAYBQNAGONPFIY-UHFFFAOYSA-N
XLogP-1.24
TPSA127.23 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 5-1.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)hexanamide
CID 103831283
(2S)-2-amino-3-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)pentanamide
CID 61172472
3-amino-4-oxo-4-[(1-pyridin-2-ylpiperidin-4-yl)amino]butanoic acid
CID 64895091
3-chloro-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62728860
2-(methylamino)-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 62639471
2,2-diphenyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)acetamide
CID 55705535
2-amino-2-methyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 61265591
2-amino-N-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]acetamide
CID 60846789
(2S)-2-amino-N-(1-pyrimidin-2-ylpiperidin-3-yl)butanamide
CID 79024327
(3S)-3-cyclohexyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanamide
CID 94816783
2-amino-N-(1-propylpiperidin-4-yl)butanediamide
CID 61275785
2-[2-oxo-2-[(1-pyrimidin-2-ylpiperidin-4-yl)amino]ethyl]sulfanylacetic acid
CID 104569240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide?
The IUPAC name of 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide (CID 60846790) is 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide.
What is the SMILES notation for 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide?
The canonical SMILES for 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide is NC(=O)CC(N)C(=O)NC1CCN(c2ncccn2)CC1.
What is the InChIKey of 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide?
The InChIKey is ZAYBQNAGONPFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O2/c14-10(8-11(15)20)12(21)18-9-2-6-19(7-3-9)13-16-4-1-5-17-13/h1,4-5,9-10H,2-3,6-8,14H2,(H2,15,20)(H,18,21).
What are the key properties of 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide?
2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide has a molecular weight of 292.34 g/mol, XLogP of -1.24, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1-pyrimidin-2-ylpiperidin-4-yl)butanediamide is sourced from PubChem (CID 60846790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).