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

C11H17N3O3 — CID 136958468

IUPAC2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-5-11(3,10(16)17)14-8-6-9(15)13-7(2)12-8/h6H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,15)
InChIKeyQEXRUKLBGBSLNI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.13
Rot. Bonds5

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

2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (PubChem CID 136958468) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
PubChem CID136958468
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(=O)[nH]c(C)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-5-11(3,10(16)17)14-8-6-9(15)13-7(2)12-8/h6H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,15)
InChIKeyQEXRUKLBGBSLNI-UHFFFAOYSA-N
XLogP1.13
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
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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Related Compounds

2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958467
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958472
2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958473
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958475
2-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958600
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958602
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpropanoic acid
CID 136958604
1-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958607
1-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958608
1-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136958609
1-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958611

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid (CID 136958468) is 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is CCCC(C)(Nc1cc(=O)[nH]c(C)n1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is QEXRUKLBGBSLNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-5-11(3,10(16)17)14-8-6-9(15)13-7(2)12-8/h6H,4-5H2,1-3H3,(H,16,17)(H2,12,13,14,15).
What are the key properties of 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid?
2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 136958468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).