1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione

C11H19N3O3 — CID 768406

IUPAC1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione
SMILESCCN(CC)CCn1c(OC)cc(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-4-13(5-2)6-7-14-10(17-3)8-9(15)12-11(14)16/h8H,4-7H2,1-3H3,(H,12,15,16)
InChIKeyIXZIMDQDTJRELR-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.11
Rot. Bonds6

About 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione

1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione (PubChem CID 768406) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione
PubChem CID768406
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione
SMILESCCN(CC)CCn1c(OC)cc(=O)[nH]c1=O
InChIInChI=1S/C11H19N3O3/c1-4-13(5-2)6-7-14-10(17-3)8-9(15)12-11(14)16/h8H,4-7H2,1-3H3,(H,12,15,16)
InChIKeyIXZIMDQDTJRELR-UHFFFAOYSA-N
XLogP-0.11
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Amino-1-[2-(diethylamino)ethyl]-1,2,3,4-tetrahydropyrimidine-2,4-dione
CID 2118143
1,3-Dimethyl-6-(piperazin-1-yl)pyrimidine-2,4(1H,3H)-dione
CID 12816873
6-(4-ethylpiperazin-1-yl)-3-methyl-1H-pyrimidine-2,4-dione
CID 7080822
1-Allyl-6-methoxyuracil
CID 15039346
6-[2-(Di-ethylamino)ethylamino]uracil hydrochloride
CID 129756632
3-methyl-6-(4-methylpiperazin-1-yl)-1H-pyrimidine-2,4-dione
CID 5182306
2-(2,4-Dioxopyrimidin-1-yl)ethyl-methyl-bis(prop-2-enyl)azanium bromide
CID 11759296
6-Amino-1-(3-methoxypropyl)pyrimidine-2,4-dione
CID 1644234
6-(diethylamino)-1H-pyrimidine-2,4-dione
CID 12549634
6-[(2-Aminoethyl)amino]-1,3-dimethylpyrimidine-2,4(1H,3H)-dione
CID 13387154
6-(2-Aminoethylamino)-1,3-dimethylpyrimidine-2,4-dione;hydrochloride
CID 13387155
6-Methoxy-3-methylpyrimidine-2,4(1H,3H)-dione
CID 13841873

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione (CID 768406) is 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione is CCN(CC)CCn1c(OC)cc(=O)[nH]c1=O.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione?
The InChIKey is IXZIMDQDTJRELR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c1-4-13(5-2)6-7-14-10(17-3)8-9(15)12-11(14)16/h8H,4-7H2,1-3H3,(H,12,15,16).
What are the key properties of 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione?
1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-6-methoxypyrimidine-2,4-dione is sourced from PubChem (CID 768406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).