4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid

C12H16N4O5 — CID 43357204

IUPAC4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H16N4O5/c1-5-7(6(2)15-12(21)14-5)3-10(18)16-8(11(19)20)4-9(13)17/h8H,3-4H2,1-2H3,(H2,13,17)(H,16,18)(H,19,20)(H,14,15,21)
InChIKeyRLZFWLRVPOJXTK-UHFFFAOYSA-N
MW296.28 g/mol
LogP-1.63
Rot. Bonds6

About 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid

4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid (PubChem CID 43357204) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid.

Molecular Properties

Compound Name4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid
PubChem CID43357204
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(CC(N)=O)C(=O)O
InChIInChI=1S/C12H16N4O5/c1-5-7(6(2)15-12(21)14-5)3-10(18)16-8(11(19)20)4-9(13)17/h8H,3-4H2,1-2H3,(H2,13,17)(H,16,18)(H,19,20)(H,14,15,21)
InChIKeyRLZFWLRVPOJXTK-UHFFFAOYSA-N
XLogP-1.63
TPSA155.24 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 5-1.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid with MolForge

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Related Compounds

3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43172726
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-methylpentanoic acid
CID 43353367
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylbutanoic acid
CID 43354098
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetic acid
CID 43354544
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43355150
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43355414
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3-methylpentanoic acid
CID 43356536
4-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]-methylamino]butanoic acid
CID 43360163
2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
CID 43465472
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-3,3-dimethylbutanoic acid
CID 43467720
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43469506
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]hexanoic acid
CID 43469842

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid?
The IUPAC name of 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid (CID 43357204) is 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid.
What is the SMILES notation for 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid?
The canonical SMILES for 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(CC(N)=O)C(=O)O.
What is the InChIKey of 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid?
The InChIKey is RLZFWLRVPOJXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-5-7(6(2)15-12(21)14-5)3-10(18)16-8(11(19)20)4-9(13)17/h8H,3-4H2,1-2H3,(H2,13,17)(H,16,18)(H,19,20)(H,14,15,21).
What are the key properties of 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid?
4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid has a molecular weight of 296.28 g/mol, XLogP of -1.63, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-4-oxobutanoic acid is sourced from PubChem (CID 43357204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).