5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid

C10H12N4O2 — CID 107542986

IUPAC5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
SMILESN#Cc1ccnc(NCCCCC(=O)O)n1
InChIInChI=1S/C10H12N4O2/c11-7-8-4-6-13-10(14-8)12-5-2-1-3-9(15)16/h4,6H,1-3,5H2,(H,15,16)(H,12,13,14)
InChIKeySQPDWXOCGITEBK-UHFFFAOYSA-N
MW220.23 g/mol
LogP1.02
Rot. Bonds6

About 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid

5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid (PubChem CID 107542986) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
PubChem CID107542986
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid
SMILESN#Cc1ccnc(NCCCCC(=O)O)n1
InChIInChI=1S/C10H12N4O2/c11-7-8-4-6-13-10(14-8)12-5-2-1-3-9(15)16/h4,6H,1-3,5H2,(H,15,16)(H,12,13,14)
InChIKeySQPDWXOCGITEBK-UHFFFAOYSA-N
XLogP1.02
TPSA98.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(6-hydroxyhexylamino)pyrimidine-4-carbonitrile
CID 107848947
2-[(4-cyanopyrimidin-2-yl)amino]oxyacetic acid
CID 107543189
6-[(6-cyano-3-pyridinyl)amino]hexanoic acid
CID 115487217
2-[(5-hydroxy-4-methylpentyl)amino]pyrimidine-4-carbonitrile
CID 106158675
7-[(4-cyano-2-pyridinyl)amino]heptanoic acid
CID 24701051
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
2-(3-methylbutylamino)pyrimidine-4-carbonitrile
CID 107543385
2-[2-(2-hydroxyethoxy)ethylamino]pyrimidine-4-carbonitrile
CID 107544340
4-[(4-cyanopyrimidin-2-yl)amino]-3-methoxybutanoic acid
CID 107543201
2-(3-hydroxypentylamino)pyrimidine-4-carbonitrile
CID 107545274
3-[(4-cyanopyrimidin-2-yl)amino]butanoic acid
CID 107542834
2-(3-imidazol-1-ylpropylamino)pyrimidine-4-carbonitrile
CID 107543580

Frequently Asked Questions

What is the IUPAC name of 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid (CID 107542986) is 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid is N#Cc1ccnc(NCCCCC(=O)O)n1.
What is the InChIKey of 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is SQPDWXOCGITEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c11-7-8-4-6-13-10(14-8)12-5-2-1-3-9(15)16/h4,6H,1-3,5H2,(H,15,16)(H,12,13,14).
What are the key properties of 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid?
5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 220.23 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-cyanopyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 107542986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).