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

C11H18N4O3 — CID 135468167

IUPAC2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESCc1cc(=O)[nH]c(NCCCCC(N)C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-7-6-9(16)15-11(14-7)13-5-3-2-4-8(12)10(17)18/h6,8H,2-5,12H2,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyFYHPNEVWTHMIFY-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.07
Rot. Bonds7

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

2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (PubChem CID 135468167) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
PubChem CID135468167
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
SMILESCc1cc(=O)[nH]c(NCCCCC(N)C(=O)O)n1
InChIInChI=1S/C11H18N4O3/c1-7-6-9(16)15-11(14-7)13-5-3-2-4-8(12)10(17)18/h6,8H,2-5,12H2,1H3,(H,17,18)(H2,13,14,15,16)
InChIKeyFYHPNEVWTHMIFY-UHFFFAOYSA-N
XLogP0.07
TPSA121.10 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The IUPAC name of 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid (CID 135468167) is 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid.
What is the SMILES notation for 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The canonical SMILES for 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is Cc1cc(=O)[nH]c(NCCCCC(N)C(=O)O)n1.
What is the InChIKey of 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
The InChIKey is FYHPNEVWTHMIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-7-6-9(16)15-11(14-7)13-5-3-2-4-8(12)10(17)18/h6,8H,2-5,12H2,1H3,(H,17,18)(H2,13,14,15,16).
What are the key properties of 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid?
2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid has a molecular weight of 254.29 g/mol, XLogP of 0.07, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid is sourced from PubChem (CID 135468167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).