4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide

C20H21N5O — CID 133290912

IUPAC4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2nc(-c3ccccn3)nc(C)c2C)cc1
InChIInChI=1S/C20H21N5O/c1-13-14(2)24-19(17-6-4-5-11-22-17)25-18(13)23-12-15-7-9-16(10-8-15)20(26)21-3/h4-11H,12H2,1-3H3,(H,21,26)(H,23,24,25)
InChIKeyIIVOHZMERDRVCV-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.13
Rot. Bonds5

About 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide

4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide (PubChem CID 133290912) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide
PubChem CID133290912
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CNc2nc(-c3ccccn3)nc(C)c2C)cc1
InChIInChI=1S/C20H21N5O/c1-13-14(2)24-19(17-6-4-5-11-22-17)25-18(13)23-12-15-7-9-16(10-8-15)20(26)21-3/h4-11H,12H2,1-3H3,(H,21,26)(H,23,24,25)
InChIKeyIIVOHZMERDRVCV-UHFFFAOYSA-N
XLogP3.13
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide (CID 133290912) is 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CNc2nc(-c3ccccn3)nc(C)c2C)cc1.
What is the InChIKey of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
The InChIKey is IIVOHZMERDRVCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c1-13-14(2)24-19(17-6-4-5-11-22-17)25-18(13)23-12-15-7-9-16(10-8-15)20(26)21-3/h4-11H,12H2,1-3H3,(H,21,26)(H,23,24,25).
What are the key properties of 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide?
4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(5,6-dimethyl-2-pyridin-2-ylpyrimidin-4-yl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 133290912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).