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

C12H19N3O3 — CID 136956433

IUPACmethyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H19N3O3/c1-7(2)5-9(12(17)18-4)15-10-6-11(16)14-8(3)13-10/h6-7,9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLCPZAWWHTIFPLJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.08
Rot. Bonds5

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

methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate (PubChem CID 136956433) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
PubChem CID136956433
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Namemethyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)Nc1cc(=O)[nH]c(C)n1
InChIInChI=1S/C12H19N3O3/c1-7(2)5-9(12(17)18-4)15-10-6-11(16)14-8(3)13-10/h6-7,9H,5H2,1-4H3,(H2,13,14,15,16)
InChIKeyLCPZAWWHTIFPLJ-UHFFFAOYSA-N
XLogP1.08
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956086
methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
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
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958667
3-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958671
3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958673
2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoic acid
CID 136958675
methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
CID 136958677
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958678

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate (CID 136956433) is methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate is COC(=O)C(CC(C)C)Nc1cc(=O)[nH]c(C)n1.
What is the InChIKey of methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The InChIKey is LCPZAWWHTIFPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-7(2)5-9(12(17)18-4)15-10-6-11(16)14-8(3)13-10/h6-7,9H,5H2,1-4H3,(H2,13,14,15,16).
What are the key properties of methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate has a molecular weight of 253.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate is sourced from PubChem (CID 136956433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).