2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one

C12H21N3O — CID 135968155

IUPAC2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-5-15(6-2)8-7-11-13-10(4)9(3)12(16)14-11/h5-8H2,1-4H3,(H,13,14,16)
InChIKeySCSWZEKTMVCAFE-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.27
Rot. Bonds5

About 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one

2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one (PubChem CID 135968155) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one
PubChem CID135968155
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one
SMILESCCN(CC)CCc1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C12H21N3O/c1-5-15(6-2)8-7-11-13-10(4)9(3)12(16)14-11/h5-8H2,1-4H3,(H,13,14,16)
InChIKeySCSWZEKTMVCAFE-UHFFFAOYSA-N
XLogP1.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[2-(diethylamino)ethyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]propanoic acid
CID 135973631
4-cyclopentyl-2-[2-(diethylamino)ethyl]-5-iodo-1H-pyrimidin-6-one
CID 136729870
2-(4-chloro-5,6-dimethylpyrimidin-2-yl)-N,N-diethylethanamine
CID 60996520
5-methyl-4-propan-2-yl-2-propyl-1H-pyrimidin-6-one
CID 136692836
4,5-dimethyl-2-(2,2,3,3-tetrafluoropropoxymethyl)-1H-pyrimidin-6-one
CID 136967812
5-bromo-2-[2-(diethylamino)ethyl]-6-propyl-1H-pyrimidine-4-thione
CID 106479339
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
2-[(2-methoxyphenyl)methyl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 135973576
2-[[3-(diethylamino)propylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 39147308
4-chloro-2-ethyl-5-methyl-1H-pyrimidin-6-one;propane
CID 158824343
2-hexyl-4-methyl-6-oxo-1H-pyrimidine-5-carboxylic acid
CID 136951222
4,5-dimethyl-2-(methylamino)-1H-pyrimidin-6-one
CID 135401759

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one (CID 135968155) is 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one is CCN(CC)CCc1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one?
The InChIKey is SCSWZEKTMVCAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-15(6-2)8-7-11-13-10(4)9(3)12(16)14-11/h5-8H2,1-4H3,(H,13,14,16).
What are the key properties of 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one?
2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one has a molecular weight of 223.32 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)ethyl]-4,5-dimethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135968155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).