N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

C24H28N4O2 — CID 108765937

IUPACN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(C)nc(Nc2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-15(2)19-6-12-22(13-7-19)30-18(5)23(29)27-20-8-10-21(11-9-20)28-24-25-16(3)14-17(4)26-24/h6-15,18H,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyCHNHZLZJDQXFCQ-UHFFFAOYSA-N
MW404.51 g/mol
LogP5.37
Rot. Bonds7

About N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (PubChem CID 108765937) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.

Molecular Properties

Compound NameN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
PubChem CID108765937
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide
SMILESCc1cc(C)nc(Nc2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)n1
InChIInChI=1S/C24H28N4O2/c1-15(2)19-6-12-22(13-7-19)30-18(5)23(29)27-20-8-10-21(11-9-20)28-24-25-16(3)14-17(4)26-24/h6-15,18H,1-5H3,(H,27,29)(H,25,26,28)
InChIKeyCHNHZLZJDQXFCQ-UHFFFAOYSA-N
XLogP5.37
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.51
LogP ≤ 55.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4,6-dimethylpyrimidin-2-yl)oxyphenyl]-2-(4-propan-2-ylphenoxy)propanamide
CID 108764994
2-(4-methoxyphenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 2951611
N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]-2-phenoxypropanamide
CID 18566670
(2S)-N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 9238804
N-(4-acetylphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 4953600
N-(4-butan-2-yloxyphenyl)-2-(4-propan-2-ylphenoxy)propanamide
CID 17160633
(2R)-2-(3-bromophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 1177364
4,6-dimethyl-N-(4-propan-2-yloxyphenyl)pyrimidin-2-amine;hydrochloride
CID 18590620
2-(3-chlorophenoxy)-N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]propanamide
CID 5057660
N-(4-propan-2-ylphenyl)-2-(4-propylphenoxy)propanamide
CID 53266150
N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-(4-propylphenoxy)propanamide
CID 53266036
(2S)-2-(3-cyanophenoxy)-N-(4-propan-2-ylphenyl)propanamide
CID 7964261

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide (CID 108765937) is N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide.
What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is Cc1cc(C)nc(Nc2ccc(NC(=O)C(C)Oc3ccc(C(C)C)cc3)cc2)n1.
What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
The InChIKey is CHNHZLZJDQXFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15(2)19-6-12-22(13-7-19)30-18(5)23(29)27-20-8-10-21(11-9-20)28-24-25-16(3)14-17(4)26-24/h6-15,18H,1-5H3,(H,27,29)(H,25,26,28).
What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide?
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide has a molecular weight of 404.51 g/mol, XLogP of 5.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-2-(4-propan-2-ylphenoxy)propanamide is sourced from PubChem (CID 108765937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).