3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione

C11H19N3O2 — CID 21355386

IUPAC3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(C)c(=O)n(CCN(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-8-9(2)13(5)11(16)14(10(8)15)7-6-12(3)4/h6-7H2,1-5H3
InChIKeyFDKCJYXKMLKSTA-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.27
Rot. Bonds3

About 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione

3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione (PubChem CID 21355386) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione
PubChem CID21355386
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione
SMILESCc1c(C)n(C)c(=O)n(CCN(C)C)c1=O
InChIInChI=1S/C11H19N3O2/c1-8-9(2)13(5)11(16)14(10(8)15)7-6-12(3)4/h6-7H2,1-5H3
InChIKeyFDKCJYXKMLKSTA-UHFFFAOYSA-N
XLogP-0.27
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3,5,6-Tetramethylpyrimidine-2,4(1H,3H)-dione
CID 13076782
Uracil, 1-butyl-5-(dimethylamino)-3,6-dimethyl-
CID 3025413
Uracil, 3-butyl-5-(dimethylamino)-1,6-dimethyl-
CID 3025414
1-(2-Dimethylamino-ethyl)-3,6-dimethyl-1H-pyrimidine-2,4-dione
CID 547155
N,N-diethylamino-1,3-diethyl-6-methyluracil
CID 172654057
5-(Dimethylamino)-3-hexyl-1,6-dimethylpyrimidine-2,4-dione
CID 239988
5-(diethylaminomethyl)-6-methyl-1H-pyrimidine-2,4-dione
CID 298967
1-Methyl-3-n-butyl-5-(1-methylethylidene)-2,4-imidazolidinedione
CID 12767209
1,3,6-Triethyl-5-methylpyrimidine-2,4-dione
CID 13029753
5-Amino-1-butyl-3,6-dimethyl-1H-pyrimidine-2,4-dione
CID 15485644
3-butan-2-yl-5,6-dimethyl-1H-pyrimidine-2,4-dione
CID 15571331
1-[1-(Dimethylamino)ethyl]-3,4-dimethylpyrrole-2,5-dione
CID 20439556

Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione?
The IUPAC name of 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione (CID 21355386) is 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione?
The canonical SMILES for 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione is Cc1c(C)n(C)c(=O)n(CCN(C)C)c1=O.
What is the InChIKey of 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione?
The InChIKey is FDKCJYXKMLKSTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-8-9(2)13(5)11(16)14(10(8)15)7-6-12(3)4/h6-7H2,1-5H3.
What are the key properties of 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione?
3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione has a molecular weight of 225.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)ethyl]-1,5,6-trimethylpyrimidine-2,4-dione is sourced from PubChem (CID 21355386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).