N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide

C24H29N5O2 — CID 122296624

IUPACN-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C24H29N5O2/c1-5-29(6-2)23-16-22(25-18(4)26-23)27-19-12-14-20(15-13-19)28-24(30)17(3)31-21-10-8-7-9-11-21/h7-17H,5-6H2,1-4H3,(H,28,30)(H,25,26,27)
InChIKeyDGYNTQPKJQKKKK-UHFFFAOYSA-N
MW419.53 g/mol
LogP4.78
Rot. Bonds9

About N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide

N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide (PubChem CID 122296624) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
PubChem CID122296624
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC NameN-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
SMILESCCN(CC)c1cc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C24H29N5O2/c1-5-29(6-2)23-16-22(25-18(4)26-23)27-19-12-14-20(15-13-19)28-24(30)17(3)31-21-10-8-7-9-11-21/h7-17H,5-6H2,1-4H3,(H,28,30)(H,25,26,27)
InChIKeyDGYNTQPKJQKKKK-UHFFFAOYSA-N
XLogP4.78
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
CID 122324085
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-phenylurea
CID 122296681
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-(1,3-dioxoisoindol-2-yl)propanamide
CID 122296823
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-methoxybenzamide
CID 122296586
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-(2-ethoxyphenyl)urea
CID 122296675
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3,5-dimethylbenzamide
CID 122296625
1-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 122296700
N-[4-(diethylamino)phenyl]-2-(4-methylphenoxy)propanamide
CID 4928472
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]quinoline-2-carboxamide
CID 122296731
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide (CID 122296624) is N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide is CCN(CC)c1cc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
The InChIKey is DGYNTQPKJQKKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-5-29(6-2)23-16-22(25-18(4)26-23)27-19-12-14-20(15-13-19)28-24(30)17(3)31-21-10-8-7-9-11-21/h7-17H,5-6H2,1-4H3,(H,28,30)(H,25,26,27).
What are the key properties of N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide has a molecular weight of 419.53 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 122296624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).