N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide

C14H16N4O — CID 62758402

IUPACN-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cncnc2)cc1C
InChIInChI=1S/C14H16N4O/c1-10-5-13(3-4-14(10)18-11(2)19)17-8-12-6-15-9-16-7-12/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyZOXMUWYVKMKHJQ-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.36
Rot. Bonds4

About N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide

N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide (PubChem CID 62758402) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
PubChem CID62758402
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
SMILESCC(=O)Nc1ccc(NCc2cncnc2)cc1C
InChIInChI=1S/C14H16N4O/c1-10-5-13(3-4-14(10)18-11(2)19)17-8-12-6-15-9-16-7-12/h3-7,9,17H,8H2,1-2H3,(H,18,19)
InChIKeyZOXMUWYVKMKHJQ-UHFFFAOYSA-N
XLogP2.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(pyrimidin-5-ylmethylamino)phenyl]acetamide
CID 55110274
N-[4-[(3-bromo-4-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 115876095
N-[4-[(3-hydroxy-6-methyl-2-pyridinyl)methylamino]-2-methylphenyl]acetamide
CID 78964135
N-[2-methyl-4-(thiadiazol-4-ylmethylamino)phenyl]acetamide
CID 43672907
5-[(4-acetamido-3-methylanilino)methyl]furan-2-carboxylic acid
CID 63316911
N-[2-methyl-4-(2-methylpropylamino)phenyl]acetamide
CID 43672835
N-[4-[(5-fluoro-2-methylphenyl)methylamino]-2-methylphenyl]acetamide
CID 103943723
N-[4-[(2-ethylpyrazol-3-yl)methylamino]-2-methylphenyl]acetamide
CID 115761962
N-[4-[(2,4-difluorophenyl)methylamino]-2-methylphenyl]acetamide
CID 43672810
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608
N-[4-[(3-aminothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 66386931
N-[4-[(3-bromothiophen-2-yl)methylamino]-2-methylphenyl]acetamide
CID 115379864

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The IUPAC name of N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide (CID 62758402) is N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The canonical SMILES for N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide is CC(=O)Nc1ccc(NCc2cncnc2)cc1C.
What is the InChIKey of N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The InChIKey is ZOXMUWYVKMKHJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-10-5-13(3-4-14(10)18-11(2)19)17-8-12-6-15-9-16-7-12/h3-7,9,17H,8H2,1-2H3,(H,18,19).
What are the key properties of N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide has a molecular weight of 256.31 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-4-(pyrimidin-5-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 62758402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).