4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide

C13H14N4O2 — CID 80882151

IUPAC4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
SMILESCNc1nc(C)cc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H14N4O2/c1-8-7-11(17-13(15-2)16-8)19-10-5-3-9(4-6-10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyKQZQZGHQCQDZEU-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.72
Rot. Bonds4

About 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide

4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide (PubChem CID 80882151) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide.

Molecular Properties

Compound Name4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
PubChem CID80882151
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide
SMILESCNc1nc(C)cc(Oc2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C13H14N4O2/c1-8-7-11(17-13(15-2)16-8)19-10-5-3-9(4-6-10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,16,17)
InChIKeyKQZQZGHQCQDZEU-UHFFFAOYSA-N
XLogP1.72
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide 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

4-(4-bromophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80864197
4-[[4-(aminomethyl)-6-methyl-2-pyridinyl]oxy]benzamide
CID 114765241
4-(6-bromonaphthalen-2-yl)oxy-N,6-dimethylpyrimidin-2-amine
CID 80865760
4-(6-methylpyridazin-3-yl)oxybenzamide
CID 175939264
4-(3,5-difluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80879463
2-[4-(aminomethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 106485641
4-(4-chloro-3-fluorophenoxy)-N,6-dimethylpyrimidin-2-amine
CID 82718901
1-[4-[2-(benzylamino)-6-methylpyrimidin-4-yl]oxyphenyl]ethanone
CID 721063
2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboxamide
CID 107709693
4-[[4-(4-carbamoylphenoxy)-6-(4-methylphenoxy)-1,3,5-triazin-2-yl]oxy]benzamide
CID 162501088
4-(4-carbamoylphenoxy)benzamide
CID 156597124
4-(3-ethoxyphenoxy)-N,6-dimethylpyrimidin-2-amine
CID 80873590

Frequently Asked Questions

What is the IUPAC name of 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide?
The IUPAC name of 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide (CID 80882151) is 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide.
What is the SMILES notation for 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide?
The canonical SMILES for 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide is CNc1nc(C)cc(Oc2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide?
The InChIKey is KQZQZGHQCQDZEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-7-11(17-13(15-2)16-8)19-10-5-3-9(4-6-10)12(14)18/h3-7H,1-2H3,(H2,14,18)(H,15,16,17).
What are the key properties of 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide?
4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide has a molecular weight of 258.28 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-methyl-2-(methylamino)pyrimidin-4-yl]oxybenzamide is sourced from PubChem (CID 80882151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).