(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate

C8H8N2O4 — CID 67255423

IUPAC(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O4/c1-2-6(11)14-4-5-3-9-8(13)10-7(5)12/h2-3H,1,4H2,(H2,9,10,12,13)
InChIKeyPRRJDSPQLXVQDY-UHFFFAOYSA-N
MW196.16 g/mol
LogP-0.71
Rot. Bonds3

About (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate

(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate (PubChem CID 67255423) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate.

Molecular Properties

Compound Name(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate
PubChem CID67255423
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate
SMILESC=CC(=O)OCc1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C8H8N2O4/c1-2-6(11)14-4-5-3-9-8(13)10-7(5)12/h2-3H,1,4H2,(H2,9,10,12,13)
InChIKeyPRRJDSPQLXVQDY-UHFFFAOYSA-N
XLogP-0.71
TPSA92.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 5-0.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

5-Carbethoxyuracil
CID 101411
Isoorotic acid methyl ester
CID 353768
5-(Ethoxymethyl)-2,4(1h,3h)-pyrimidinedione
CID 6620566
Ethyl 1-methyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate
CID 21582820
5-(3-Hydroxy-propoxymethyl)-1H-pyrimidine-2,4-dione
CID 373126
Methyl (E)-3-thymin-1-yl-propenoate
CID 6450954
[(E)-4-(5-methyl-2,4-dioxo-pyrimidin-1-yl)but-2-enyl] 2,2-dimethylpropanoate
CID 6477691
2,2-Dimethyl-propionic acid 4-(5-methyl-2,4-dioxo-3,4-dihydro-2H-pyrimidin-1-yl)-but-2-enyl ester
CID 10978846
ethyl 3-methyl-2,4-dioxo-1H-pyrimidine-5-carboxylate
CID 253770
5-Isopropoxymethyluracil
CID 1223689
2,2,2-Trifluoroethyl 2,4-dihydroxypyrimidine-5-carboxylate
CID 12848799
Allyl (5-methyl-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl)acetate
CID 376609

Frequently Asked Questions

What is the IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate?
The IUPAC name of (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate (CID 67255423) is (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate.
What is the SMILES notation for (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate?
The canonical SMILES for (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate is C=CC(=O)OCc1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate?
The InChIKey is PRRJDSPQLXVQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-2-6(11)14-4-5-3-9-8(13)10-7(5)12/h2-3H,1,4H2,(H2,9,10,12,13).
What are the key properties of (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate?
(2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate has a molecular weight of 196.16 g/mol, XLogP of -0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dioxo-1H-pyrimidin-5-yl)methyl prop-2-enoate is sourced from PubChem (CID 67255423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).