N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide

C22H25N5O — CID 44526626

IUPACN-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(CNc2cc(C)nc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C22H25N5O/c1-15-8-10-19(11-9-15)25-22-24-16(2)12-21(26-22)23-14-18-6-5-7-20(13-18)27(4)17(3)28/h5-13H,14H2,1-4H3,(H2,23,24,25,26)
InChIKeyIZIIHWBIZCJNMG-UHFFFAOYSA-N
MW375.48 g/mol
LogP4.43
Rot. Bonds6

About N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide

N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide (PubChem CID 44526626) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide
PubChem CID44526626
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide
SMILESCC(=O)N(C)c1cccc(CNc2cc(C)nc(Nc3ccc(C)cc3)n2)c1
InChIInChI=1S/C22H25N5O/c1-15-8-10-19(11-9-15)25-22-24-16(2)12-21(26-22)23-14-18-6-5-7-20(13-18)27(4)17(3)28/h5-13H,14H2,1-4H3,(H2,23,24,25,26)
InChIKeyIZIIHWBIZCJNMG-UHFFFAOYSA-N
XLogP4.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The IUPAC name of N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide (CID 44526626) is N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The canonical SMILES for N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide is CC(=O)N(C)c1cccc(CNc2cc(C)nc(Nc3ccc(C)cc3)n2)c1.
What is the InChIKey of N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
The InChIKey is IZIIHWBIZCJNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-15-8-10-19(11-9-15)25-22-24-16(2)12-21(26-22)23-14-18-6-5-7-20(13-18)27(4)17(3)28/h5-13H,14H2,1-4H3,(H2,23,24,25,26).
What are the key properties of N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide?
N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]methyl]phenyl]acetamide is sourced from PubChem (CID 44526626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).