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

C12H16N4O5 — CID 43465472

IUPAC2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H16N4O5/c1-6-8(7(2)16-12(21)15-6)3-9(17)13-4-10(18)14-5-11(19)20/h3-5H2,1-2H3,(H,13,17)(H,14,18)(H,19,20)(H,15,16,21)
InChIKeyNYUOOVHHUBRKKB-UHFFFAOYSA-N
MW296.28 g/mol
LogP-1.75
Rot. Bonds6

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

2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid (PubChem CID 43465472) has the molecular formula C12H16N4O5 and a molecular weight of 296.28 g/mol. Its IUPAC name is 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
PubChem CID43465472
Molecular FormulaC12H16N4O5
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Name2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)NCC(=O)O
InChIInChI=1S/C12H16N4O5/c1-6-8(7(2)16-12(21)15-6)3-9(17)13-4-10(18)14-5-11(19)20/h3-5H2,1-2H3,(H,13,17)(H,14,18)(H,19,20)(H,15,16,21)
InChIKeyNYUOOVHHUBRKKB-UHFFFAOYSA-N
XLogP-1.75
TPSA141.25 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 ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-(ethylamino)-2-oxoethyl]acetamide
CID 9406387
N-[2-(dimethylamino)-2-oxoethyl]-2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetamide
CID 9406635
2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-N-[2-oxo-2-(propylamino)ethyl]acetamide
CID 9406707
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]propanoic acid
CID 43170692
3-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]butanoic acid
CID 43172726
2-[4,6-Dimethyl-1-[2-(methylamino)-2-oxoethyl]-2-oxopyrimidin-5-yl]acetic acid
CID 43310690
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]-methylamino]acetic acid
CID 43356374

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid (CID 43465472) is 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NCC(=O)NCC(=O)O.
What is the InChIKey of 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid?
The InChIKey is NYUOOVHHUBRKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O5/c1-6-8(7(2)16-12(21)15-6)3-9(17)13-4-10(18)14-5-11(19)20/h3-5H2,1-2H3,(H,13,17)(H,14,18)(H,19,20)(H,15,16,21).
What are the key properties of 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid?
2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid has a molecular weight of 296.28 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]acetyl]amino]acetic acid is sourced from PubChem (CID 43465472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).