1-[2-(dimethylamino)pyrimidin-5-yl]ethanone

C8H11N3O — CID 45086334

IUPAC1-[2-(dimethylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)C)nc1
InChIInChI=1S/C8H11N3O/c1-6(12)7-4-9-8(10-5-7)11(2)3/h4-5H,1-3H3
InChIKeyGRJYPJAIITXYGZ-UHFFFAOYSA-N
MW165.20 g/mol
LogP0.75
Rot. Bonds2

About 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone

1-[2-(dimethylamino)pyrimidin-5-yl]ethanone (PubChem CID 45086334) has the molecular formula C8H11N3O and a molecular weight of 165.20 g/mol. Its IUPAC name is 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[2-(dimethylamino)pyrimidin-5-yl]ethanone
PubChem CID45086334
Molecular FormulaC8H11N3O
Molecular Weight165.20 g/mol
Exact Mass165.09
IUPAC Name1-[2-(dimethylamino)pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(N(C)C)nc1
InChIInChI=1S/C8H11N3O/c1-6(12)7-4-9-8(10-5-7)11(2)3/h4-5H,1-3H3
InChIKeyGRJYPJAIITXYGZ-UHFFFAOYSA-N
XLogP0.75
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(dimethylamino)pyrimidin-5-yl]-2-oxoacetic acid
CID 83391277
tert-butyl N-(5-acetylpyrimidin-2-yl)-N-methylcarbamate
CID 140897159
4-acetyl-N-[2,4-bis(dimethylamino)pyrimidin-5-yl]benzamide
CID 122319784
2-[2-(dimethylamino)pyrimidin-5-yl]acetamide
CID 173127901
5-iodo-N,N-dimethylpyrimidin-2-amine
CID 25148249
1-[2-(2-hydroxyethyl)pyrimidin-5-yl]ethanone
CID 170286956
1-[2-[bis[(4-methoxyphenyl)methyl]amino]pyrimidin-5-yl]ethanone
CID 67294293
N-[2-(dimethylamino)pyrimidin-5-yl]propanamide
CID 91967806
N-[3-[2-(dimethylamino)pyrimidin-5-yl]prop-2-enyl]acetamide
CID 169465561
2-[2-(dimethylamino)pyrimidin-5-yl]-3,3-dimethylbutanoic acid
CID 14718719
1-[1-[2-(dimethylamino)pyrimidin-5-yl]piperidin-4-yl]ethanone
CID 118119706
2-(dimethylamino)-N-(thiophen-2-ylmethyl)pyrimidine-5-carboxamide
CID 53299092

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone (CID 45086334) is 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone is CC(=O)c1cnc(N(C)C)nc1.
What is the InChIKey of 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone?
The InChIKey is GRJYPJAIITXYGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O/c1-6(12)7-4-9-8(10-5-7)11(2)3/h4-5H,1-3H3.
What are the key properties of 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone?
1-[2-(dimethylamino)pyrimidin-5-yl]ethanone has a molecular weight of 165.20 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)pyrimidin-5-yl]ethanone is sourced from PubChem (CID 45086334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).