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

C11H17N3O3 — CID 136972348

IUPAC5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCc1nc(NC(C)CCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(4-3-5-11(16)17)12-9-6-10(15)14-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyBOVCWMHQNVUORF-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.13
Rot. Bonds6

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

5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136972348) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136972348
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCc1nc(NC(C)CCCC(=O)O)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O3/c1-7(4-3-5-11(16)17)12-9-6-10(15)14-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyBOVCWMHQNVUORF-UHFFFAOYSA-N
XLogP1.13
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136972348) is 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is Cc1nc(NC(C)CCCC(=O)O)cc(=O)[nH]1.
What is the InChIKey of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is BOVCWMHQNVUORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-7(4-3-5-11(16)17)12-9-6-10(15)14-8(2)13-9/h6-7H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136972348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).