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

C14H16N4O2 — CID 62760279

IUPAC2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C14H16N4O2/c1-20-9-14(19)18-13-4-2-12(3-5-13)17-8-11-6-15-10-16-7-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyGASFYXGTFYZZMR-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.67
Rot. Bonds6

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

2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide (PubChem CID 62760279) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
PubChem CID62760279
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1ccc(NCc2cncnc2)cc1
InChIInChI=1S/C14H16N4O2/c1-20-9-14(19)18-13-4-2-12(3-5-13)17-8-11-6-15-10-16-7-11/h2-7,10,17H,8-9H2,1H3,(H,18,19)
InChIKeyGASFYXGTFYZZMR-UHFFFAOYSA-N
XLogP1.67
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-hydroxyphenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717389
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
N-[4-(hydroxymethyl)phenyl]-2-methoxyacetamide
CID 64794296
2-methoxy-N-[4-[(2-methylpyrazol-3-yl)methylamino]phenyl]acetamide
CID 43717460
N-[4-[(5-ethylthiophen-2-yl)methylamino]phenyl]-2-methoxyacetamide
CID 62345367
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608
N-[4-[(2-chlorophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43717390
N-[4-[(2-ethylpyrazol-3-yl)methylamino]phenyl]-2-methoxyacetamide
CID 115761980
N-[4-[(6-bromo-2-pyridinyl)methylamino]phenyl]-2-methoxyacetamide
CID 115937980
2-amino-N-[4-[(2-methoxyacetyl)amino]phenyl]acetamide
CID 43708154
N-(4-hydrazinylphenyl)-2-methoxyacetamide
CID 141361616
N-(2-methoxyphenyl)-4-(pyrimidin-5-ylmethylamino)benzamide
CID 119050113

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide (CID 62760279) is 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide is COCC(=O)Nc1ccc(NCc2cncnc2)cc1.
What is the InChIKey of 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
The InChIKey is GASFYXGTFYZZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-9-14(19)18-13-4-2-12(3-5-13)17-8-11-6-15-10-16-7-11/h2-7,10,17H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide?
2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide has a molecular weight of 272.31 g/mol, XLogP of 1.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(pyrimidin-5-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 62760279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).