3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide

C19H22N6O — CID 118765988

IUPAC3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
SMILESCCn1ccnc1CN(C)C(=O)c1cccc(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C19H22N6O/c1-4-25-9-8-21-17(25)12-24(3)18(26)15-7-5-6-14(11-15)16-10-13(2)22-19(20)23-16/h5-11H,4,12H2,1-3H3,(H2,20,22,23)
InChIKeyUBCXYFGQLMLFCE-UHFFFAOYSA-N
MW350.43 g/mol
LogP2.52
Rot. Bonds5

About 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide

3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide (PubChem CID 118765988) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
PubChem CID118765988
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC Name3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide
SMILESCCn1ccnc1CN(C)C(=O)c1cccc(-c2cc(C)nc(N)n2)c1
InChIInChI=1S/C19H22N6O/c1-4-25-9-8-21-17(25)12-24(3)18(26)15-7-5-6-14(11-15)16-10-13(2)22-19(20)23-16/h5-11H,4,12H2,1-3H3,(H2,20,22,23)
InChIKeyUBCXYFGQLMLFCE-UHFFFAOYSA-N
XLogP2.52
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]benzamide
CID 118775753
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CID 126426582
3-iodo-N-methyl-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 47116905
N-[(1-ethylimidazol-2-yl)methyl]-7-fluoro-N-methyl-2-(2-methylpyrimidin-5-yl)quinoline-4-carboxamide
CID 46994840
N-[(1-ethylimidazol-2-yl)methyl]-4-(3-methoxypyrazin-2-yl)-N-methylbenzamide
CID 119069160
(2S)-2-(dimethylamino)-N-[(1-ethylimidazol-2-yl)methyl]-N-methyl-2-(3-methylphenyl)acetamide
CID 97205674
N-[(1-benzylimidazol-2-yl)methyl]-N,2-dimethyl-1-benzofuran-5-carboxamide
CID 72938444
3-(6-ethyl-2-methylpyrimidin-4-yl)-N-[(1-propylimidazol-2-yl)methyl]benzamide
CID 118769642
3-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(2-hydroxyethoxy)ethyl]benzamide
CID 118783405
1-(3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744909
4-(2-amino-6-methylpyrimidin-4-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-N-methylbenzamide
CID 119062826
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(3S,4S)-4-ethoxy-1-methylpyrrolidin-3-yl]benzamide
CID 118793940

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide?
The IUPAC name of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide (CID 118765988) is 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide.
What is the SMILES notation for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide?
The canonical SMILES for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide is CCn1ccnc1CN(C)C(=O)c1cccc(-c2cc(C)nc(N)n2)c1.
What is the InChIKey of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide?
The InChIKey is UBCXYFGQLMLFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-4-25-9-8-21-17(25)12-24(3)18(26)15-7-5-6-14(11-15)16-10-13(2)22-19(20)23-16/h5-11H,4,12H2,1-3H3,(H2,20,22,23).
What are the key properties of 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide?
3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide has a molecular weight of 350.43 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-6-methylpyrimidin-4-yl)-N-[(1-ethylimidazol-2-yl)methyl]-N-methylbenzamide is sourced from PubChem (CID 118765988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).