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

C11H17N3O3 — CID 136958441

IUPAC2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-4-5-8(11(16)17)14-9-6-10(15)13-7(2)12-9/h6,8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyDUUNXIXDLPNGLS-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.13
Rot. Bonds6

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

2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (PubChem CID 136958441) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.

Molecular Properties

Compound Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
PubChem CID136958441
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid
SMILESCCCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-3-4-5-8(11(16)17)14-9-6-10(15)13-7(2)12-9/h6,8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15)
InChIKeyDUUNXIXDLPNGLS-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

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

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Related Compounds

(2S)-6-amino-2-[2-(4-amino-2-oxopyrimidin-1-yl)propanoylamino]hexanoic acid
CID 91610677
2-amino-5-(6-oxo-1H-pyrimidin-2-yl)pentanoic acid
CID 53889723
(2S)-6-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 136443947
6-amino-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137091802
6-(methylamino)-2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)carbamoylamino]hexanoic acid
CID 137147047
2-[(6-oxo-1H-pyrimidin-2-yl)amino]hexanoic acid
CID 177750468
2-[(4-Oxopyrido[1,2-a]pyrimidin-2-yl)amino]hexanoic acid
CID 122060308
(2S)-2-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)amino]hexanoic acid
CID 122062920
3,3-dimethyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689829
3,3-dimethyl-1-(2-methyl-6-oxo-1H-pyrimidin-4-yl)piperidine-2-carboxylic acid
CID 136689830
1-(2-ethyl-6-oxo-1H-pyrimidin-4-yl)-3,3-dimethylpiperidine-2-carboxylic acid
CID 136689832
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-3-methylpiperidine-2-carboxylic acid
CID 136896338

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The IUPAC name of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid (CID 136958441) is 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid.
What is the SMILES notation for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The canonical SMILES for 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is CCCCC(Nc1cc(=O)[nH]c(C)n1)C(=O)O.
What is the InChIKey of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
The InChIKey is DUUNXIXDLPNGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-4-5-8(11(16)17)14-9-6-10(15)13-7(2)12-9/h6,8H,3-5H2,1-2H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid?
2-[(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 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]hexanoic acid is sourced from PubChem (CID 136958441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).