N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide

C24H27N5O2 — CID 18566670

IUPACN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H27N5O2/c1-17-16-22(29-14-6-7-15-29)28-24(25-17)27-20-12-10-19(11-13-20)26-23(30)18(2)31-21-8-4-3-5-9-21/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyHJYKBRIKCZGQLS-UHFFFAOYSA-N
MW417.51 g/mol
LogP4.53
Rot. Bonds7

About N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide

N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide (PubChem CID 18566670) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide
PubChem CID18566670
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide
SMILESCc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1
InChIInChI=1S/C24H27N5O2/c1-17-16-22(29-14-6-7-15-29)28-24(25-17)27-20-12-10-19(11-13-20)26-23(30)18(2)31-21-8-4-3-5-9-21/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,26,30)(H,25,27,28)
InChIKeyHJYKBRIKCZGQLS-UHFFFAOYSA-N
XLogP4.53
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide with MolForge

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

Launch Full Analysis

Related Compounds

2-phenoxy-N-(4-pyrrolidin-1-ylphenyl)propanamide
CID 51157992
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108765937
1-(2-methoxyphenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 56921755
2-(2-methoxyphenoxy)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 122287797
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]cyclopentanecarboxamide
CID 18566685
1-(3,5-difluorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 70702897
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 122287567
1-(3-chlorophenyl)-3-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]urea
CID 27478215
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]furan-2-carboxamide
CID 44522249
N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]quinoline-2-carboxamide
CID 122287788
2-(difluoromethylsulfanyl)-N-[4-[(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)amino]phenyl]benzamide
CID 122287850

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide (CID 18566670) is N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide is Cc1cc(N2CCCC2)nc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)n1.
What is the InChIKey of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide?
The InChIKey is HJYKBRIKCZGQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-17-16-22(29-14-6-7-15-29)28-24(25-17)27-20-12-10-19(11-13-20)26-23(30)18(2)31-21-8-4-3-5-9-21/h3-5,8-13,16,18H,6-7,14-15H2,1-2H3,(H,26,30)(H,25,27,28).
What are the key properties of N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide?
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide has a molecular weight of 417.51 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 18566670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).