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

C10H15N5O4 — CID 135538028

IUPAC6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESNc1nc(NCCCCCC(=O)O)[nH]c(=O)c1N=O
InChIInChI=1S/C10H15N5O4/c11-8-7(15-19)9(18)14-10(13-8)12-5-3-1-2-4-6(16)17/h1-5H2,(H,16,17)(H4,11,12,13,14,18)
InChIKeyMMXPBZSZASDUGV-UHFFFAOYSA-N
MW269.26 g/mol
LogP0.81
Rot. Bonds8

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

6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (PubChem CID 135538028) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
PubChem CID135538028
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESNc1nc(NCCCCCC(=O)O)[nH]c(=O)c1N=O
InChIInChI=1S/C10H15N5O4/c11-8-7(15-19)9(18)14-10(13-8)12-5-3-1-2-4-6(16)17/h1-5H2,(H,16,17)(H4,11,12,13,14,18)
InChIKeyMMXPBZSZASDUGV-UHFFFAOYSA-N
XLogP0.81
TPSA150.53 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 50.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid with MolForge

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Related Compounds

4-amino-2-(benzylamino)-5-nitroso-1H-pyrimidin-6-one
CID 137267829
2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
CID 135987606
6-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
CID 136958362
gold;heptanedioic acid
CID 174896169
6-[(4-bromo-1,3-thiazol-2-yl)amino]hexanoic acid
CID 79400565
5-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958938
7-[(6-carbamoyl-2-pyridinyl)amino]heptanoic acid
CID 64588541
N-(6-aminohexyl)hydroxylamine;hexanedioic acid
CID 160744161
6-(hydroxymethoxy)-6-oxohexanoic acid;1,3,5-triazine-2,4,6-triamine
CID 174906007
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
tridecanedioic acid;undecanedioic acid
CID 158333715
heptadecanedioic acid
CID 3083765

Frequently Asked Questions

What is the IUPAC name of 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (CID 135538028) is 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is Nc1nc(NCCCCCC(=O)O)[nH]c(=O)c1N=O.
What is the InChIKey of 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is MMXPBZSZASDUGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c11-8-7(15-19)9(18)14-10(13-8)12-5-3-1-2-4-6(16)17/h1-5H2,(H,16,17)(H4,11,12,13,14,18).
What are the key properties of 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 269.26 g/mol, XLogP of 0.81, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-amino-5-nitroso-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 135538028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).