6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid

C10H17N5O3 — CID 135755433

IUPAC6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESNc1nc(NCCCCCC(=O)O)[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O3/c11-7-8(12)14-10(15-9(7)18)13-5-3-1-2-4-6(16)17/h1-5,11H2,(H,16,17)(H4,12,13,14,15,18)
InChIKeyUHOYZLUIQHCUGP-UHFFFAOYSA-N
MW255.28 g/mol
LogP-0.01
Rot. Bonds7

About 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid

6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (PubChem CID 135755433) has the molecular formula C10H17N5O3 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
PubChem CID135755433
Molecular FormulaC10H17N5O3
Molecular Weight255.28 g/mol
Exact Mass255.13
IUPAC Name6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESNc1nc(NCCCCCC(=O)O)[nH]c(=O)c1N
InChIInChI=1S/C10H17N5O3/c11-7-8(12)14-10(15-9(7)18)13-5-3-1-2-4-6(16)17/h1-5,11H2,(H,16,17)(H4,12,13,14,15,18)
InChIKeyUHOYZLUIQHCUGP-UHFFFAOYSA-N
XLogP-0.01
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (CID 135755433) is 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is Nc1nc(NCCCCCC(=O)O)[nH]c(=O)c1N.
What is the InChIKey of 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is UHOYZLUIQHCUGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O3/c11-7-8(12)14-10(15-9(7)18)13-5-3-1-2-4-6(16)17/h1-5,11H2,(H,16,17)(H4,12,13,14,15,18).
What are the key properties of 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 255.28 g/mol, XLogP of -0.01, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,5-diamino-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 135755433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).