2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide

C12H19N3O2 — CID 7748971

IUPAC2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H19N3O2/c1-5-14(6-2)12(17)8-15-10(4)13-9(3)7-11(15)16/h7H,5-6,8H2,1-4H3
InChIKeyHZALBVCPLSFJRF-UHFFFAOYSA-N
MW237.30 g/mol
LogP0.73
Rot. Bonds4

About 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide

2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (PubChem CID 7748971) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.

Molecular Properties

Compound Name2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
PubChem CID7748971
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide
SMILESCCN(CC)C(=O)Cn1c(C)nc(C)cc1=O
InChIInChI=1S/C12H19N3O2/c1-5-14(6-2)12(17)8-15-10(4)13-9(3)7-11(15)16/h7H,5-6,8H2,1-4H3
InChIKeyHZALBVCPLSFJRF-UHFFFAOYSA-N
XLogP0.73
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(Diethylaminomethyl)-4-hydroxy-2-methylpyrimidine
CID 135508651
4(3H)-Pyrimidinone, 2,3,6-trimethyl-
CID 544953
N-((6-Methyl-4-oxo-1,4-dihydropyrimidin-2-yl)methyl)acetamide
CID 136208150
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
4(3H)-Pyrimidinone, 2-ethyl-3,6-dimethyl-
CID 551082
3-Ethyl-6-methyl-2-propan-2-ylpyrimidin-4-one
CID 13123701
3-Ethyl-6-methyl-2-propylpyrimidin-4-one
CID 134868748
4(3H)-Pyrimidinone, 3-ethyl-2,6-dimethyl-
CID 592279
5-Amino-3-ethyl-2,6-dimethylpyrimidin-4-one
CID 22949222
2,6-Dimethyl-3-(2-methylpropyl)pyrimidin-4-one
CID 67473382
(Z)-3-[[N-[2-(1-isocyanatopropan-2-ylamino)-2-oxoethyl]-C-methylcarbonimidoyl]amino]but-2-enamide
CID 123548458
2-(5-Amino-2,4-dimethyl-6-oxopyrimidin-1-yl)acetamide
CID 142232660

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The IUPAC name of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide (CID 7748971) is 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide.
What is the SMILES notation for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The canonical SMILES for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is CCN(CC)C(=O)Cn1c(C)nc(C)cc1=O.
What is the InChIKey of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
The InChIKey is HZALBVCPLSFJRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c1-5-14(6-2)12(17)8-15-10(4)13-9(3)7-11(15)16/h7H,5-6,8H2,1-4H3.
What are the key properties of 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide?
2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide has a molecular weight of 237.30 g/mol, XLogP of 0.73, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethyl-6-oxopyrimidin-1-yl)-N,N-diethylacetamide is sourced from PubChem (CID 7748971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).