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

C11H17N3O3 — CID 137007542

IUPACmethyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCCCC(C)(Nc1cc(=O)[nH]cn1)C(=O)OC
InChIInChI=1S/C11H17N3O3/c1-4-5-11(2,10(16)17-3)14-8-6-9(15)13-7-12-8/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyWAJUHASJVFFOTA-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.91
Rot. Bonds5

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

methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate (PubChem CID 137007542) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
PubChem CID137007542
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
SMILESCCCC(C)(Nc1cc(=O)[nH]cn1)C(=O)OC
InChIInChI=1S/C11H17N3O3/c1-4-5-11(2,10(16)17-3)14-8-6-9(15)13-7-12-8/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15)
InChIKeyWAJUHASJVFFOTA-UHFFFAOYSA-N
XLogP0.91
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956433
methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956438
2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958466
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958469
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958676
methyl 4-methyl-2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]pentanoate
CID 136958677
methyl 2-[(2-ethyl-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958679
4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoic acid
CID 136958681
2-cyclopropyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136959033
1-[(6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 136959379
methyl 2-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136975060

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The IUPAC name of methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate (CID 137007542) is methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate.
What is the SMILES notation for methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The canonical SMILES for methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate is CCCC(C)(Nc1cc(=O)[nH]cn1)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
The InChIKey is WAJUHASJVFFOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-5-11(2,10(16)17-3)14-8-6-9(15)13-7-12-8/h6-7H,4-5H2,1-3H3,(H2,12,13,14,15).
What are the key properties of methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate?
methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate has a molecular weight of 239.27 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate is sourced from PubChem (CID 137007542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).