2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide

C14H16N4O2 — CID 62748713

IUPAC2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NCc2ccncn2)c1
InChIInChI=1S/C14H16N4O2/c1-20-9-14(19)18-12-4-2-3-11(7-12)16-8-13-5-6-15-10-17-13/h2-7,10,16H,8-9H2,1H3,(H,18,19)
InChIKeyUIFRHTQQAOWPCB-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.67
Rot. Bonds6

About 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide

2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide (PubChem CID 62748713) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
PubChem CID62748713
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide
SMILESCOCC(=O)Nc1cccc(NCc2ccncn2)c1
InChIInChI=1S/C14H16N4O2/c1-20-9-14(19)18-12-4-2-3-11(7-12)16-8-13-5-6-15-10-17-13/h2-7,10,16H,8-9H2,1H3,(H,18,19)
InChIKeyUIFRHTQQAOWPCB-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

Analyze 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[(3-bromophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 43713051
N-ethyl-3-(pyrimidin-4-ylmethylamino)benzamide
CID 62760777
N-[3-[(2-aminophenyl)methylamino]phenyl]-2-methoxyacetamide
CID 66387466
N-[3-(pyridin-2-ylmethylamino)phenyl]propanamide
CID 28662122
2-methoxy-N-[3-[(pyridin-2-ylmethylamino)methyl]phenyl]acetamide
CID 47025423
2-methoxy-N-pyrimidin-4-ylacetamide
CID 110460486
N-[3-[(3-hydroxy-2,2-dimethylpropyl)amino]phenyl]-2-methoxyacetamide
CID 81410812
N-(3-tert-butylphenyl)-2-methoxyacetamide
CID 59139856
N-[3-[(2-methoxyacetyl)amino]phenyl]imidazole-1-carboxamide
CID 81257160
N-(3-aminophenyl)-2-methoxyacetamide
CID 11137720
2-methoxy-N-[3-[(1-phenyltetrazol-5-yl)methylamino]phenyl]acetamide
CID 167858469
methyl N-[3-(pyrimidin-5-ylmethylamino)phenyl]carbamate
CID 55109608

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide (CID 62748713) is 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide is COCC(=O)Nc1cccc(NCc2ccncn2)c1.
What is the InChIKey of 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide?
The InChIKey is UIFRHTQQAOWPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-20-9-14(19)18-12-4-2-3-11(7-12)16-8-13-5-6-15-10-17-13/h2-7,10,16H,8-9H2,1H3,(H,18,19).
What are the key properties of 2-methoxy-N-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide?
2-methoxy-N-[3-(pyrimidin-4-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-[3-(pyrimidin-4-ylmethylamino)phenyl]acetamide is sourced from PubChem (CID 62748713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).