N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide

C16H20N4O — CID 61234394

IUPACN-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCCc1cc(NC(C)c2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C16H20N4O/c1-4-14-9-16(18-10-17-14)19-11(2)13-6-5-7-15(8-13)20-12(3)21/h5-11H,4H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyKLCXTFMGLYGDOD-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.17
Rot. Bonds5

About N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide (PubChem CID 61234394) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
PubChem CID61234394
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
SMILESCCc1cc(NC(C)c2cccc(NC(C)=O)c2)ncn1
InChIInChI=1S/C16H20N4O/c1-4-14-9-16(18-10-17-14)19-11(2)13-6-5-7-15(8-13)20-12(3)21/h5-11H,4H2,1-3H3,(H,20,21)(H,17,18,19)
InChIKeyKLCXTFMGLYGDOD-UHFFFAOYSA-N
XLogP3.17
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[6-(1-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112859381
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
CID 63208430
methyl 2-[(6-ethylpyrimidin-4-yl)amino]-2-phenylacetate
CID 62109290
N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[1-(3-aminophenyl)ethyl]-6-propylpyrimidin-4-amine
CID 61240540
(2S)-N-[1-(3-acetamidophenyl)ethyl]-2-aminobutanamide;hydrochloride
CID 119282390
N-[1-(3-acetamidophenyl)ethyl]-2-aminopropanamide
CID 54880242
N-[1-(3-acetamidophenyl)ethyl]-3-oxobutanamide
CID 54880254
N-[3-[1-(bromomethylsulfonylamino)ethyl]phenyl]acetamide
CID 83086978
N-[1-(3-acetamidophenyl)ethyl]-3-aminobutanamide
CID 54880253

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide (CID 61234394) is N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide is CCc1cc(NC(C)c2cccc(NC(C)=O)c2)ncn1.
What is the InChIKey of N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is KLCXTFMGLYGDOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-14-9-16(18-10-17-14)19-11(2)13-6-5-7-15(8-13)20-12(3)21/h5-11H,4H2,1-3H3,(H,20,21)(H,17,18,19).
What are the key properties of N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 284.36 g/mol, XLogP of 3.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 61234394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).