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

C12H17N3O4 — CID 61261505

IUPAC2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-6-8(7(2)14-11(19)13-6)5-9(16)15-12(3,4)10(17)18/h5H2,1-4H3,(H,15,16)(H,17,18)(H,13,14,19)
InChIKeyJZBUQCUMBHJTMN-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.09
Rot. Bonds4

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

2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid (PubChem CID 61261505) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
PubChem CID61261505
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid
SMILESCc1nc(=O)[nH]c(C)c1CC(=O)NC(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O4/c1-6-8(7(2)14-11(19)13-6)5-9(16)15-12(3,4)10(17)18/h5H2,1-4H3,(H,15,16)(H,17,18)(H,13,14,19)
InChIKeyJZBUQCUMBHJTMN-UHFFFAOYSA-N
XLogP-0.09
TPSA112.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid?
The IUPAC name of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid (CID 61261505) is 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid is Cc1nc(=O)[nH]c(C)c1CC(=O)NC(C)(C)C(=O)O.
What is the InChIKey of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid?
The InChIKey is JZBUQCUMBHJTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-6-8(7(2)14-11(19)13-6)5-9(16)15-12(3,4)10(17)18/h5H2,1-4H3,(H,15,16)(H,17,18)(H,13,14,19).
What are the key properties of 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid?
2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid has a molecular weight of 267.28 g/mol, XLogP of -0.09, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]-2-methylpropanoic acid is sourced from PubChem (CID 61261505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).