methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate

C12H17N3O5 — CID 43623949

IUPACmethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C12H17N3O5/c1-4-5-12(2,10(18)20-3)15-9(17)7-6-8(16)14-11(19)13-7/h6H,4-5H2,1-3H3,(H,15,17)(H2,13,14,16,19)
InChIKeyAYOQOQVCISTKDK-UHFFFAOYSA-N
MW283.28 g/mol
LogP-0.48
Rot. Bonds5

About methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate

methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate (PubChem CID 43623949) has the molecular formula C12H17N3O5 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate
PubChem CID43623949
Molecular FormulaC12H17N3O5
Molecular Weight283.28 g/mol
Exact Mass283.12
IUPAC Namemethyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate
SMILESCCCC(C)(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)OC
InChIInChI=1S/C12H17N3O5/c1-4-5-12(2,10(18)20-3)15-9(17)7-6-8(16)14-11(19)13-7/h6H,4-5H2,1-3H3,(H,15,17)(H2,13,14,16,19)
InChIKeyAYOQOQVCISTKDK-UHFFFAOYSA-N
XLogP-0.48
TPSA121.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]propanoic acid
CID 43341270
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoate
CID 43404347
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoic acid
CID 43618667
methyl 2-[[2-(2,4-dioxo-1H-pyrimidin-6-yl)acetyl]amino]-2-methylpentanoate
CID 43623937
Methyl 2-[[2-(2,4-dioxopyrimidin-1-yl)acetyl]amino]-2-methylpentanoate
CID 43623986
Methyl 2-[(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methylamino]-4-methylpentanoate
CID 61666689
4-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-4-methylpentanoic acid
CID 62044591
2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-ethylbutanoic acid
CID 79806519
1-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81157932
methyl 2-methyl-2-[(6-oxo-1H-pyridine-2-carbonyl)amino]pentanoate
CID 107362962

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate?
The IUPAC name of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate (CID 43623949) is methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate.
What is the SMILES notation for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate?
The canonical SMILES for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate is CCCC(C)(NC(=O)c1cc(=O)[nH]c(=O)[nH]1)C(=O)OC.
What is the InChIKey of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate?
The InChIKey is AYOQOQVCISTKDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O5/c1-4-5-12(2,10(18)20-3)15-9(17)7-6-8(16)14-11(19)13-7/h6H,4-5H2,1-3H3,(H,15,17)(H2,13,14,16,19).
What are the key properties of methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate?
methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate has a molecular weight of 283.28 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2,4-dioxo-1H-pyrimidine-6-carbonyl)amino]-2-methylpentanoate is sourced from PubChem (CID 43623949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).