3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

C24H27N5O — CID 121090382

IUPAC3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1
InChIInChI=1S/C24H27N5O/c1-16-12-17(2)14-19(13-16)23(30)27-21-8-6-20(7-9-21)26-22-15-18(3)25-24(28-22)29-10-4-5-11-29/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,27,30)(H,25,26,28)
InChIKeyQEBYEBFGGVWLTC-UHFFFAOYSA-N
MW401.51 g/mol
LogP5.00
Rot. Bonds5

About 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide

3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (PubChem CID 121090382) has the molecular formula C24H27N5O and a molecular weight of 401.51 g/mol. Its IUPAC name is 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
PubChem CID121090382
Molecular FormulaC24H27N5O
Molecular Weight401.51 g/mol
Exact Mass401.22
IUPAC Name3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
SMILESCc1cc(C)cc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1
InChIInChI=1S/C24H27N5O/c1-16-12-17(2)14-19(13-16)23(30)27-21-8-6-20(7-9-21)26-22-15-18(3)25-24(28-22)29-10-4-5-11-29/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,27,30)(H,25,26,28)
InChIKeyQEBYEBFGGVWLTC-UHFFFAOYSA-N
XLogP5.00
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-3,5-dinitrobenzamide
CID 121090446
5-fluoro-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 122295763
3,4-dimethoxy-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047832
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-4-pyrrol-1-ylbenzamide
CID 122295711
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-1,3-benzothiazole-6-carboxamide
CID 122295849
N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-3-(trifluoromethoxy)benzamide
CID 122295692
1-methyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]-6-oxopyridazine-3-carboxamide
CID 122295615
2-ethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]butanamide
CID 121090365
1-(3,5-difluorophenyl)-3-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048053
3,4-dimethyl-N-[4-[(6-methyl-2-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 53047898
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-oxochromene-3-carboxamide
CID 121090436
1-(3-fluoro-4-methylphenyl)-3-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]urea
CID 53048031

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The IUPAC name of 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide (CID 121090382) is 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The canonical SMILES for 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is Cc1cc(C)cc(C(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c1.
What is the InChIKey of 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
The InChIKey is QEBYEBFGGVWLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O/c1-16-12-17(2)14-19(13-16)23(30)27-21-8-6-20(7-9-21)26-22-15-18(3)25-24(28-22)29-10-4-5-11-29/h6-9,12-15H,4-5,10-11H2,1-3H3,(H,27,30)(H,25,26,28).
What are the key properties of 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide?
3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide has a molecular weight of 401.51 g/mol, XLogP of 5.00, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-[4-[(6-methyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]phenyl]benzamide is sourced from PubChem (CID 121090382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).