N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide

C15H18N4O — CID 63208430

IUPACN-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2ncc(C)cn2)c1
InChIInChI=1S/C15H18N4O/c1-10-8-16-15(17-9-10)18-11(2)13-5-4-6-14(7-13)19-12(3)20/h4-9,11H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyZBIIYZJVTQLWFT-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.92
Rot. Bonds4

About N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide

N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide (PubChem CID 63208430) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
PubChem CID63208430
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(C(C)Nc2ncc(C)cn2)c1
InChIInChI=1S/C15H18N4O/c1-10-8-16-15(17-9-10)18-11(2)13-5-4-6-14(7-13)19-12(3)20/h4-9,11H,1-3H3,(H,19,20)(H,16,17,18)
InChIKeyZBIIYZJVTQLWFT-UHFFFAOYSA-N
XLogP2.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[1-(methylamino)ethyl]phenyl]acetamide
CID 43200396
N-[3-[1-[(5-amino-1H-1,2,4-triazol-3-yl)amino]ethyl]phenyl]acetamide
CID 66275396
N-[3-[1-(2-fluoroanilino)ethyl]phenyl]acetamide
CID 43201351
N-[3-[1-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]phenyl]acetamide
CID 65209214
5-methyl-N-[1-(3-nitrophenyl)ethyl]pyrimidin-2-amine
CID 138041672
N-[3-(1-phenylethylamino)phenyl]acetamide
CID 43178472
N-[3-[1-[(6-ethylpyrimidin-4-yl)amino]ethyl]phenyl]acetamide
CID 61234394
N-[3-[1-(2-iodoanilino)ethyl]phenyl]acetamide
CID 43124690
N-[3-[1-[(3-methoxy-2-pyridinyl)amino]ethyl]phenyl]acetamide
CID 115923081
N-[3-[1-(3,4-dimethylphenyl)ethylamino]phenyl]acetamide
CID 43193756
N-[4-methyl-3-[1-(3-methylphenyl)ethylamino]phenyl]acetamide
CID 43789836
N-[3-[1-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]ethyl]phenyl]acetamide
CID 65271751

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide?
The IUPAC name of N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide (CID 63208430) is N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide.
What is the SMILES notation for N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide?
The canonical SMILES for N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide is CC(=O)Nc1cccc(C(C)Nc2ncc(C)cn2)c1.
What is the InChIKey of N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide?
The InChIKey is ZBIIYZJVTQLWFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-10-8-16-15(17-9-10)18-11(2)13-5-4-6-14(7-13)19-12(3)20/h4-9,11H,1-3H3,(H,19,20)(H,16,17,18).
What are the key properties of N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide?
N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide has a molecular weight of 270.34 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-methylpyrimidin-2-yl)amino]ethyl]phenyl]acetamide is sourced from PubChem (CID 63208430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).