N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide

C11H15N3O3 — CID 126842110

IUPACN-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)CC(C)C(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-7(2)6-8(3)10(16)13-14-5-4-9(15)12-11(14)17/h4-5,8H,1,6H2,2-3H3,(H,13,16)(H,12,15,17)
InChIKeyMXSIIHMHXJXXDL-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.21
Rot. Bonds4

About N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide

N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide (PubChem CID 126842110) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide.

Molecular Properties

Compound NameN-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide
PubChem CID126842110
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC NameN-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide
SMILESC=C(C)CC(C)C(=O)Nn1ccc(=O)[nH]c1=O
InChIInChI=1S/C11H15N3O3/c1-7(2)6-8(3)10(16)13-14-5-4-9(15)12-11(14)17/h4-5,8H,1,6H2,2-3H3,(H,13,16)(H,12,15,17)
InChIKeyMXSIIHMHXJXXDL-UHFFFAOYSA-N
XLogP0.21
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Allylaethyl-Aminouracil
CID 129641641
5-[1-[2,4-Dioxo-1-(propylamino)pyrimidin-5-yl]but-3-enyl]-1-(propylamino)pyrimidine-2,4-dione
CID 67589804
1-Amino-5-(2,2-dimethylpropyl)pyrimidine-2,4-dione
CID 134419507
1-(Butylamino)-5-propan-2-ylpyrimidine-2,4-dione
CID 163496588
3-amino-5-(2-methylpropanoyl)-1H-pyrimidine-2,4-dione
CID 174453913

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide?
The IUPAC name of N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide (CID 126842110) is N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide.
What is the SMILES notation for N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide?
The canonical SMILES for N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide is C=C(C)CC(C)C(=O)Nn1ccc(=O)[nH]c1=O.
What is the InChIKey of N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide?
The InChIKey is MXSIIHMHXJXXDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c1-7(2)6-8(3)10(16)13-14-5-4-9(15)12-11(14)17/h4-5,8H,1,6H2,2-3H3,(H,13,16)(H,12,15,17).
What are the key properties of N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide?
N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide has a molecular weight of 237.26 g/mol, XLogP of 0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dioxopyrimidin-1-yl)-2,4-dimethylpent-4-enamide is sourced from PubChem (CID 126842110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).