5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid

C9H15N5O3 — CID 154090654

IUPAC5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid
SMILESNc1c/c(=N/CCCCC(=O)O)nc(N)n1O
InChIInChI=1S/C9H15N5O3/c10-6-5-7(13-9(11)14(6)17)12-4-2-1-3-8(15)16/h5,17H,1-4,10H2,(H,15,16)(H2,11,12,13)
InChIKeyRNSFITXMYFXYAC-UHFFFAOYSA-N
MW241.25 g/mol
LogP-0.56
Rot. Bonds5

About 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid

5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid (PubChem CID 154090654) has the molecular formula C9H15N5O3 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid.

Molecular Properties

Compound Name5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid
PubChem CID154090654
Molecular FormulaC9H15N5O3
Molecular Weight241.25 g/mol
Exact Mass241.12
IUPAC Name5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid
SMILESNc1c/c(=N/CCCCC(=O)O)nc(N)n1O
InChIInChI=1S/C9H15N5O3/c10-6-5-7(13-9(11)14(6)17)12-4-2-1-3-8(15)16/h5,17H,1-4,10H2,(H,15,16)(H2,11,12,13)
InChIKeyRNSFITXMYFXYAC-UHFFFAOYSA-N
XLogP-0.56
TPSA139.75 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

ethene;hexanedioic acid
CID 173462672
5-(aminomethylideneamino)pentanoic acid
CID 142073691
ethanamine;hexanedioic acid
CID 173189130
heptakis(decanedioic acid);ethene
CID 173236204
hexanedioic acid;propan-2-one
CID 158520683
9-azidononanoic acid
CID 15230549
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
triacontanedioic acid
CID 5322010
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid?
The IUPAC name of 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid (CID 154090654) is 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid.
What is the SMILES notation for 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid?
The canonical SMILES for 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid is Nc1c/c(=N/CCCCC(=O)O)nc(N)n1O.
What is the InChIKey of 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid?
The InChIKey is RNSFITXMYFXYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O3/c10-6-5-7(13-9(11)14(6)17)12-4-2-1-3-8(15)16/h5,17H,1-4,10H2,(H,15,16)(H2,11,12,13).
What are the key properties of 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid?
5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid has a molecular weight of 241.25 g/mol, XLogP of -0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-diamino-1-hydroxypyrimidin-4-ylidene)amino]pentanoic acid is sourced from PubChem (CID 154090654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).