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

C22H25N5O2 — CID 122324085

IUPACN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
SMILESCCNc1cc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C22H25N5O2/c1-4-23-20-14-21(25-16(3)24-20)26-17-10-12-18(13-11-17)27-22(28)15(2)29-19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,27,28)(H2,23,24,25,26)
InChIKeyQGEYAYGWGLWRPE-UHFFFAOYSA-N
MW391.48 g/mol
LogP4.37
Rot. Bonds8

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

N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide (PubChem CID 122324085) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide.

Molecular Properties

Compound NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
PubChem CID122324085
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
SMILESCCNc1cc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)nc(C)n1
InChIInChI=1S/C22H25N5O2/c1-4-23-20-14-21(25-16(3)24-20)26-17-10-12-18(13-11-17)27-22(28)15(2)29-19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,27,28)(H2,23,24,25,26)
InChIKeyQGEYAYGWGLWRPE-UHFFFAOYSA-N
XLogP4.37
TPSA88.17 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[6-(diethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide
CID 122296624
N-[2-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]ethyl]-2-phenoxypropanamide
CID 121074582
N-[4-[(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)amino]phenyl]-2-phenoxypropanamide
CID 122297268
1-[3-(difluoromethoxy)phenyl]-3-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]urea
CID 122324189
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2,2-dimethylpropanamide
CID 122324032
N-(4-methylphenyl)-2-phenoxypropanamide
CID 4639701
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]butanamide
CID 122324029
N-(4-acetamidophenyl)-2-phenoxypropanamide
CID 2897872
2-methyl-N-[4-[[(2S)-2-phenoxypropanoyl]amino]phenyl]propanamide
CID 40976571
(2R)-N-(4-anilinophenyl)-2-(4-methoxyphenoxy)propanamide
CID 2203307
2-[4-(2-phenoxypropanoylamino)phenoxy]acetic acid
CID 2898320
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenoxybenzenesulfonamide
CID 122324162

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
The IUPAC name of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide (CID 122324085) is N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide.
What is the SMILES notation for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
The canonical SMILES for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide is CCNc1cc(Nc2ccc(NC(=O)C(C)Oc3ccccc3)cc2)nc(C)n1.
What is the InChIKey of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
The InChIKey is QGEYAYGWGLWRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-4-23-20-14-21(25-16(3)24-20)26-17-10-12-18(13-11-17)27-22(28)15(2)29-19-8-6-5-7-9-19/h5-15H,4H2,1-3H3,(H,27,28)(H2,23,24,25,26).
What are the key properties of N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide?
N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide has a molecular weight of 391.48 g/mol, XLogP of 4.37, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(ethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenoxypropanamide is sourced from PubChem (CID 122324085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).