1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione

C13H16N4O4 — CID 15503116

IUPAC1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1Cn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O4/c1-8-5-10(18)14(3)12(20)16(8)7-17-9(2)6-11(19)15(4)13(17)21/h5-6H,7H2,1-4H3
InChIKeyCFENZXUNGXXSLZ-UHFFFAOYSA-N
MW292.30 g/mol
LogP-1.47
Rot. Bonds2

About 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione

1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 15503116) has the molecular formula C13H16N4O4 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione
PubChem CID15503116
Molecular FormulaC13H16N4O4
Molecular Weight292.30 g/mol
Exact Mass292.12
IUPAC Name1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCc1cc(=O)n(C)c(=O)n1Cn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C13H16N4O4/c1-8-5-10(18)14(3)12(20)16(8)7-17-9(2)6-11(19)15(4)13(17)21/h5-6H,7H2,1-4H3
InChIKeyCFENZXUNGXXSLZ-UHFFFAOYSA-N
XLogP-1.47
TPSA88.00 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 5-1.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione (CID 15503116) is 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione is Cc1cc(=O)n(C)c(=O)n1Cn1c(C)cc(=O)n(C)c1=O.
What is the InChIKey of 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is CFENZXUNGXXSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O4/c1-8-5-10(18)14(3)12(20)16(8)7-17-9(2)6-11(19)15(4)13(17)21/h5-6H,7H2,1-4H3.
What are the key properties of 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione?
1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 292.30 g/mol, XLogP of -1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dimethyl-2,4-dioxopyrimidin-1-yl)methyl]-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 15503116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).