N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

C19H22N6O — CID 11631662

IUPACN-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1
InChIInChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24)
InChIKeyPHSSTQVIBIMDLX-UHFFFAOYSA-N
MW350.43 g/mol
LogP3.33
Rot. Bonds5

About N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide

N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (PubChem CID 11631662) has the molecular formula C19H22N6O and a molecular weight of 350.43 g/mol. Its IUPAC name is N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.

Molecular Properties

Compound NameN-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
PubChem CID11631662
Molecular FormulaC19H22N6O
Molecular Weight350.43 g/mol
Exact Mass350.19
IUPAC NameN-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide
SMILESCNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1
InChIInChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24)
InChIKeyPHSSTQVIBIMDLX-UHFFFAOYSA-N
XLogP3.33
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The IUPAC name of N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide (CID 11631662) is N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide.
What is the SMILES notation for N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The canonical SMILES for N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is CNC(=O)c1ccc(Nc2nccc(-c3cnc(C)n3C(C)C)n2)cc1.
What is the InChIKey of N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
The InChIKey is PHSSTQVIBIMDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O/c1-12(2)25-13(3)22-11-17(25)16-9-10-21-19(24-16)23-15-7-5-14(6-8-15)18(26)20-4/h5-12H,1-4H3,(H,20,26)(H,21,23,24).
What are the key properties of N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide?
N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide has a molecular weight of 350.43 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]benzamide is sourced from PubChem (CID 11631662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).