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

C11H18N4O3 — CID 136989662

IUPACmethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)OC
InChIInChI=1S/C11H18N4O3/c1-4-5-11(2,10(17)18-3)15-8-7(12)9(16)14-6-13-8/h6H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyAYLGBXLYQKVKLK-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.50
Rot. Bonds5

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

methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate (PubChem CID 136989662) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
PubChem CID136989662
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Namemethyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
SMILESCCCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)OC
InChIInChI=1S/C11H18N4O3/c1-4-5-11(2,10(17)18-3)15-8-7(12)9(16)14-6-13-8/h6H,4-5,12H2,1-3H3,(H2,13,14,15,16)
InChIKeyAYLGBXLYQKVKLK-UHFFFAOYSA-N
XLogP0.50
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate with MolForge

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Related Compounds

methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoic acid
CID 136958465
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958666
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoate
CID 136958676
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958680
4-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 136958721
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-cyclopropylpropanoic acid
CID 136959032
2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-ethylbutanoic acid
CID 136959295
1-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]cyclobutane-1-carboxylic acid
CID 136959378
methyl 2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
CID 136989663
methyl 2-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 137007542
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate
CID 137007543

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate (CID 136989662) is methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate is CCCC(C)(Nc1nc[nH]c(=O)c1N)C(=O)OC.
What is the InChIKey of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
The InChIKey is AYLGBXLYQKVKLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-4-5-11(2,10(17)18-3)15-8-7(12)9(16)14-6-13-8/h6H,4-5,12H2,1-3H3,(H2,13,14,15,16).
What are the key properties of methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate?
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate has a molecular weight of 254.29 g/mol, XLogP of 0.50, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylpentanoate is sourced from PubChem (CID 136989662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).