6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione

C11H16N4O3 — CID 143494018

IUPAC6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESC=CN(CC(C)=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O3/c1-5-15(6-7(2)16)8-9(12)13(3)11(18)14(4)10(8)17/h5H,1,6,12H2,2-4H3
InChIKeyGYKZPWWNXHBDEI-UHFFFAOYSA-N
MW252.27 g/mol
LogP-0.79
Rot. Bonds4

About 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione

6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 143494018) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID143494018
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione
SMILESC=CN(CC(C)=O)c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C11H16N4O3/c1-5-15(6-7(2)16)8-9(12)13(3)11(18)14(4)10(8)17/h5H,1,6,12H2,2-4H3
InChIKeyGYKZPWWNXHBDEI-UHFFFAOYSA-N
XLogP-0.79
TPSA90.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 5-0.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-amino-5-(2-aminopropyl)-1,3-dimethylpyrimidine-2,4-dione
CID 170890934
3-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-3-oxopropanenitrile
CID 2363689
2-[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-(methylideneamino)amino]-N-(6-chloro-5-methoxy-1,3-benzoxazol-2-yl)acetamide
CID 70943291
6-amino-5-[2-hydroxypropyl(methyl)amino]-3-methyl-1-propylpyrimidine-2,4-dione
CID 62333545
N-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)octanamide
CID 45118798
6-amino-5-[2-[(4-ethylphenyl)methyl-methylamino]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 27206199
6-hydroxy-1,3-dimethyl-5-prop-2-enylpyrimidine-2,4-dione
CID 11557464
2-(5-acetyl-3-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 80501607
6-amino-5-[2-(2-methoxy-N-methylanilino)acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 47057162
2-[amino-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)amino]-N-(6-methoxy-1,3-benzothiazol-2-yl)acetamide
CID 143969668
6-amino-1,3-dimethyl-5-[[(2S,3R,4S,5R)-2,3,4,5,6-pentahydroxyhexylidene]amino]pyrimidine-2,4-dione
CID 12810527
[(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-chloromethylidene]-dimethylazanium
CID 85442963

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione (CID 143494018) is 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione is C=CN(CC(C)=O)c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is GYKZPWWNXHBDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-5-15(6-7(2)16)8-9(12)13(3)11(18)14(4)10(8)17/h5H,1,6,12H2,2-4H3.
What are the key properties of 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione?
6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 252.27 g/mol, XLogP of -0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[ethenyl(2-oxopropyl)amino]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 143494018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).