methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate

C11H17N3O3 — CID 136956436

IUPACmethyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)C(Nc1cc(=O)[nH]c(C)n1)C(C)C
InChIInChI=1S/C11H17N3O3/c1-6(2)10(11(16)17-4)14-8-5-9(15)13-7(3)12-8/h5-6,10H,1-4H3,(H2,12,13,14,15)
InChIKeyYNIANHZNGDWGTQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.69
Rot. Bonds4

About methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate

methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate (PubChem CID 136956436) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
PubChem CID136956436
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)C(Nc1cc(=O)[nH]c(C)n1)C(C)C
InChIInChI=1S/C11H17N3O3/c1-6(2)10(11(16)17-4)14-8-5-9(15)13-7(3)12-8/h5-6,10H,1-4H3,(H2,12,13,14,15)
InChIKeyYNIANHZNGDWGTQ-UHFFFAOYSA-N
XLogP0.69
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate with MolForge

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Related Compounds

4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136824091
4-[(1-ethoxy-3-methylbutan-2-yl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136824092
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955986
methyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956086
ethyl 2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956410
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
4-(1-methoxybutan-2-ylamino)-2-methyl-1H-pyrimidin-6-one
CID 136956777
4-[(1-methoxy-3-methylbutan-2-yl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136956800
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanoic acid
CID 136958426
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958433

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate (CID 136956436) is methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate is COC(=O)C(Nc1cc(=O)[nH]c(C)n1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The InChIKey is YNIANHZNGDWGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-6(2)10(11(16)17-4)14-8-5-9(15)13-7(3)12-8/h5-6,10H,1-4H3,(H2,12,13,14,15).
What are the key properties of methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate has a molecular weight of 239.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 136956436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).