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

C10H15N3O3 — CID 136956438

IUPACmethyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)C(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)9(10(15)16-3)13-7-4-8(14)12-5-11-7/h4-6,9H,1-3H3,(H2,11,12,13,14)
InChIKeyWOIMYBFPGIHRKY-UHFFFAOYSA-N
MW225.25 g/mol
LogP0.38
Rot. Bonds4

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

methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate (PubChem CID 136956438) has the molecular formula C10H15N3O3 and a molecular weight of 225.25 g/mol. Its IUPAC name is methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
PubChem CID136956438
Molecular FormulaC10H15N3O3
Molecular Weight225.25 g/mol
Exact Mass225.11
IUPAC Namemethyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate
SMILESCOC(=O)C(Nc1cc(=O)[nH]cn1)C(C)C
InChIInChI=1S/C10H15N3O3/c1-6(2)9(10(15)16-3)13-7-4-8(14)12-5-11-7/h4-6,9H,1-3H3,(H2,11,12,13,14)
InChIKeyWOIMYBFPGIHRKY-UHFFFAOYSA-N
XLogP0.38
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

4-[(1-ethoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136824090
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]acetate
CID 136955988
methyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956088
ethyl 2-[(6-oxo-1H-pyrimidin-4-yl)amino]propanoate
CID 136956412
methyl 4-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]pentanoate
CID 136956434
methyl 2-[(5-iodo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136956435
methyl 3-methyl-2-[(2-methyl-6-oxo-1H-pyrimidin-4-yl)amino]butanoate
CID 136956436
methyl 2-[(5-bromo-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136956437
4-[(1-methoxy-3-methylbutan-2-yl)amino]-1H-pyrimidin-6-one
CID 136956802
2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoic acid
CID 136958432
methyl 2-[(5-amino-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958666
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)amino]-3-methylbutanoate
CID 136958667

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The IUPAC name of methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate (CID 136956438) is methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate.
What is the SMILES notation for methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The canonical SMILES for methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate is COC(=O)C(Nc1cc(=O)[nH]cn1)C(C)C.
What is the InChIKey of methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
The InChIKey is WOIMYBFPGIHRKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O3/c1-6(2)9(10(15)16-3)13-7-4-8(14)12-5-11-7/h4-6,9H,1-3H3,(H2,11,12,13,14).
What are the key properties of methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate?
methyl 3-methyl-2-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate has a molecular weight of 225.25 g/mol, XLogP of 0.38, 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-[(6-oxo-1H-pyrimidin-4-yl)amino]butanoate is sourced from PubChem (CID 136956438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).