2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine

C12H17N5O — CID 56869757

IUPAC2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C12H17N5O/c1-16(2)6-7-17-5-4-13-11(17)10-8-14-12(18-3)15-9-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyMICHYJDLBOWCGQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.91
Rot. Bonds5

About 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine

2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine (PubChem CID 56869757) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
PubChem CID56869757
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine
SMILESCOc1ncc(-c2nccn2CCN(C)C)cn1
InChIInChI=1S/C12H17N5O/c1-16(2)6-7-17-5-4-13-11(17)10-8-14-12(18-3)15-9-10/h4-5,8-9H,6-7H2,1-3H3
InChIKeyMICHYJDLBOWCGQ-UHFFFAOYSA-N
XLogP0.91
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine 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

5-[4-(2-Methylimidazol-1-yl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]pyrimidin-2-amine
CID 44158465
4-Imidazol-1-yl-2-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10824197
4-Imidazol-1-yl-6-(4-methyl-piperazin-1-yl)-pyrimidine
CID 10657936
2-chloro-4-(2-methyl-1H-imidazol-1-yl)pyrimidine
CID 62343269
N-[(1-ethyl-1H-imidazol-2-yl)methyl]-N,N',N'-trimethylpyrimidine-4,6-diamine
CID 50956142
1-[(1-Methylimidazol-2-yl)methyl]-4-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 53553093
2-methoxy-5-[1-(3-methoxypropyl)-1H-imidazol-2-yl]pyrimidine
CID 56749148
2-methoxy-5-{1-[1-methyl-3-(1H-pyrazol-1-yl)propyl]-1H-imidazol-2-yl}pyrimidine
CID 56863217
(2-{2-[2-(methoxymethyl)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56867185
(2-{2-[2-(ethylthio)pyrimidin-5-yl]-1H-imidazol-1-yl}ethyl)dimethylamine
CID 56874529
N,N-dimethyl-5-({2-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-1-piperidinyl}methyl)-2-pyrimidinamine
CID 70717289
2-(methoxymethyl)-5-{1-[2-(4H-1,2,4-triazol-4-yl)ethyl]-1H-imidazol-2-yl}pyrimidine
CID 70749056

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine (CID 56869757) is 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine is COc1ncc(-c2nccn2CCN(C)C)cn1.
What is the InChIKey of 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is MICHYJDLBOWCGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-16(2)6-7-17-5-4-13-11(17)10-8-14-12(18-3)15-9-10/h4-5,8-9H,6-7H2,1-3H3.
What are the key properties of 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine?
2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 247.30 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxypyrimidin-5-yl)imidazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 56869757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).